Hecogenin - ≥80% , CAS No.467-55-0

CAS: 467-55-0 Cat. No.: H138879 Molecular Weight: 430.63 Beilstein Registry Number: 19(3/4)2581 EC Number: 207-392-4 PubChem CID: 91453
AVAILABLE TO ORDER
GRADE & PURITY ≥80%
Synonyms
3-beta-Hydroxy-5-alpha-spirostan-12-one | 5alpha-Spirostan-12-one, 3beta-hydroxy-, (25R)- | CHEBI:5633 | A872232 | CAS-467-55-0 | Maybridge1_008811 | Tox21_110443_1 | BPBio1_000726 | NSC 115921 | AC-1713 | MS-27662 | Spirostan-12-one, 3-hydroxy-, (3beta,5
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
H138879-100mg
3
$35.90
500mg
H138879-500mg
3
$114.90
1g
H138879-1g
9
$166.90
5g
H138879-5g
3
$654.90
25g
H138879-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,118.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥80% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-beta-Hydroxy-5-alpha-spirostan-12-one | 5alpha-Spirostan-12-one, 3beta-hydroxy-, (25R)- | CHEBI:5633 | A872232 | CAS-467-55-0 | Maybridge1_008811 | Tox21_110443_1 | BPBio1_000726 | NSC 115921 | AC-1713 | MS-27662 | Spirostan-12-one, 3-hydroxy-, (3beta, 5
Specifications & Purity
≥80%
Storage
Room temperature
Shipped In
Normal
Purity
≥80%
Names and Identifiers
Pubchem Sid488186653
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488186653
Canonical SmilesCC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1
IUPAC Name(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
InChIKeyQOLRLLFJMZLYQJ-LOBDNJQFSA-N
INCHI1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
Isomeric SMILES C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(C(=O)C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
PubChem CID 91453
Molecular Weight 430.63
Beilstein 19(3/4)2581

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTriterpenoids
Intermediate Tree Nodes Not available
Direct ParentTriterpenoids
Alternative Parents Spirostanes and derivatives  Oxosteroids  3-beta-hydroxysteroids  Ketals  Oxanes  Tetrahydrofurans  Secondary alcohols  Ketones  Cyclic alcohols and derivatives  Oxacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Triterpenoid - Spirostane skeleton - 3-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - 3-beta-hydroxysteroid - Oxosteroid - Steroid - Ketal - Oxane - Cyclic alcohol - Tetrahydrofuran - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Acetal - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors Spirostanols and derivatives
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BT-474 (2113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-BR-3 (5175 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HUVEC (11049 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot NumberCertificate TypeDateItem
H1821031Certificate of AnalysisNov 06, 2025 H138879
D23142423Certificate of AnalysisMay 06, 2022 H138879
Chemical and Physical Properties
Molecular Weight430.600 g/mol
XLogP34.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass430.308 Da
Monoisotopic Mass430.308 Da
Topological Polar Surface Area55.800 Ų
Heavy Atom Count31
Formal Charge0
Complexity766.000
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Shuai Liu, Keming Zheng, Yilin Jiang, Susu Gai, Bohan Li, Dehai Li, Shuang Yang, Zhihua Lv.  (2023)  Biotransformation of Penindolone, an Influenza A Virus Inhibitor.  MOLECULES,  28  (3): (1479).  [PMID:36771146] [10.3390/molecules28031479]
2. Xiaoyu Wang, Zhe Wang, Zhen Wang, Xiuyuan Chen, Hang Yin, Lili Jiang, Jun Cao, Yong Liu.  (2020)  Inhibition of human UDP-glucuronosyltransferase enzyme by belinostat: Implications for drug-drug interactions.  TOXICOLOGY LETTERS,      [PMID:33290829] [10.1016/j.toxlet.2020.12.001]
3. Hang Yin, Xiaoyu Wang, Zhe Wang, Zhen Wang, Xin Lv, Lili Jiang, Jun Cao, Yong Liu.  (2026)  Inhibition of Four Anaplastic Lymphoma Kinase Inhibitors on the Activity of Human UDP-Glucuronosyltransferases and Prediction of Drug–Drug Interactions.  CHEMICAL RESEARCH IN TOXICOLOGY,      [PMID:41755788] [10.1021/acs.chemrestox.6c00032]
Solution Calculators
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