Vulgarin - ≥90%(LC/MS-ELSD) , CAS No.3162-56-9

CAS: 3162-56-9 Cat. No.: V463218 Molecular Weight: 264.32 EC Number: 803-488-0 PubChem CID: 94253
AVAILABLE TO ORDER
GRADE & PURITY ≥90%(LC/MS-ELSD)
Synonyms
Eudesm-2-en-12-oic acid, 4,6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)- | Judaicin (sesquiterpene) | Naphtho(1,2-b)furan-2,6(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-9-hydroxy-3,5a,9-trimethyl-, (3S,3aS,5aR,9R,9aS,9bS)- | Naphtho(1,2-b)furan-2,6(3H,4H)-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
V463218-1mg
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Why this grade

≥90%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Description

Natural product derived from plant source.}

Specifications

Synonyms
Eudesm-2-en-12-oic acid, 4, 6-alpha-dihydroxy-1-oxo-, gamma-lactone, (11S)- | Judaicin (sesquiterpene) | Naphtho(1, 2-b)furan-2, 6(3H, 4H)-dione, 3a, 5, 5a, 9, 9a, 9b-hexahydro-9-hydroxy-3, 5a, 9-trimethyl-, (3S, 3aS, 5aR, 9R, 9aS, 9bS)- | Naphtho(1, 2-b)furan-2, 6(3H, 4H)-
Specifications & Purity
≥90%(LC/MS-ELSD)
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥90%(LC/MS-ELSD)
Names and Identifiers
Canonical SmilesCC1C2CCC3(C(C2OC1=O)C(C=CC3=O)(C)O)C
IUPAC Name(3S,3aS,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione
InChIKeyNGPDZEACIWDCKX-WUDKWMPASA-N
INCHI1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1
Isomeric SMILES C[C@H]1[C@@H]2CC[C@@]3([C@@H]([C@H]2OC1=O)[C@](C=CC3=O)(C)O)C
PubChem CID 94253
Molecular Weight 264.32

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
SubclassTerpene lactones
Intermediate Tree Nodes Sesquiterpene lactones
Direct ParentEudesmanolides, secoeudesmanolides, and derivatives
Alternative Parents Sesquiterpenoids  Naphthofurans  Cyclohexenones  Gamma butyrolactones  Tetrahydrofurans  Tertiary alcohols  Carboxylic acid esters  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Eudesmanolide - Sesquiterpenoid - Naphthofuran - Cyclohexenone - Gamma butyrolactone - Tertiary alcohol - Tetrahydrofuran - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.
External Descriptors Eudesmanes
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 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:
Chemical and Physical Properties
Flash Point(°F)Not applicable
Flash Point(°C)Not applicable
Molecular Weight264.320 g/mol
XLogP31.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass264.136 Da
Monoisotopic Mass264.136 Da
Topological Polar Surface Area63.600 Ų
Heavy Atom Count19
Formal Charge0
Complexity483.000
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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