Cucurbitacin D - ≥99% , CAS No.3877-86-9

CAS: 3877-86-9 Cat. No.: C651710 Molecular Weight: 516.67 EC Number: 686-158-7 PubChem CID: 5281318

COA

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Cucurbitacin D - ≥99% CAS No(3877-86-9) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%

Synonyms

(23E)-2beta,16alpha,20,25-tetrahydroxy-10alpha-cucurbita-5,23-diene-3,11,22-trione | NSC 308606 | 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy- | 19-Norlanosta-5,23-diene-3,11,22-trione,2,16,20,25-t

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs 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.

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Literature proof

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

Overview

Cucurbitacin D is an active component in Trichosanthes kirilowii , disrupts interactions between Hsp90 and two co-chaperones, Cdc37 and p23. Cucurbitacin D prevents Hsp90 client (Her2, Raf , Cdk6 , pAkt) maturation without induction of the heat shock response. Anti-cancer activity

Form:Solid

IC50& Target:HSP90

Specifications

Synonyms

(23E)-2beta, 16alpha, 20, 25-tetrahydroxy-10alpha-cucurbita-5, 23-diene-3, 11, 22-trione | NSC 308606 | 19-Nor-9-beta, 10-alpha-lanosta-5, 23-diene-3, 11, 22-trione, 9-methyl-2-beta, 16-alpha, 20, 25-tetrahydroxy- | 19-Norlanosta-5, 23-diene-3, 11, 22-trione, 2, 16, 20, 25-t

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

Canonical Smiles	CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C
IUPAC Name	(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
InChIKey	SRPHMISUTWFFKJ-QJNWWGCFSA-N
INCHI	1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
Isomeric SMILES	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
Alternate CAS	3877-86-9
PubChem CID	5281318
NSC Number	308606
MeSH Entry Terms	23,24-dihydro-cucurbitacin D;cucurbitacin D;elatericin A
Molecular Weight	516.67

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Steroids and steroid derivatives
    - Subclass Cucurbitacins

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Steroids and steroid derivatives
Subclass	Cucurbitacins
Intermediate Tree Nodes	Not available
Direct Parent	Cucurbitacins
Alternative Parents	Triterpenoids 11-oxosteroids 14-alpha-methylsteroids 16-alpha-hydroxysteroids 3-oxo delta-5-steroids Delta-5-steroids Acyloins Tertiary alcohols Enones Acryloyl compounds Alpha-hydroxy ketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Cucurbitacin skeleton - Triterpenoid - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 14-alpha-methylsteroid - 2-hydroxysteroid - Hydroxysteroid - 3-oxo-delta-5-steroid - 11-oxosteroid - Oxosteroid - 3-oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - Delta-5-steroid - Acyloin - Alpha,beta-unsaturated ketone - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Enone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.
External Descriptors	Cholesterol and derivatives
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ITGAL Tclin Leukocyte adhesion glycoprotein LFA-1 alpha (170 Activities)

Discover Target: ITGAL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Solubility	DMSO : 110 mg/mL (212.90 mM; Need ultrasonic)
Molecular Weight	516.700 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	516.309 Da
Monoisotopic Mass	516.309 Da
Topological Polar Surface Area	132.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1100.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1