Ecdysone

CAS

3604-87-3

Catalog Number

ACM3604873

Category

Steroidal Compounds

Molecular Weight

464.63

Molecular Formula

C27H44O6

MSDS COA Spec Sheet

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Specification

Synonyms

Ecdysone; (2β,3β,5β,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one; A-ECDYSONE; α-Ecdysone; Gynostemma Gypenosides; [3H]-Ecdysone;

IUPAC Name

(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

Canonical SMILES

CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O

InChI

InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1

InChI Key

UPEZCKBFRMILAV-JMZLNJERSA-N

Boiling Point

632ºC at 760mmHg

Melting Point

242ºC

Flash Point

350ºC

Density

1.22g/cm³

Appearance

Cryst

EC Number

222-760-4

Exact Mass

464.31400

Safety Description

S22-S24/25

WGK Germany

What is the PubChem CID of Ecdysone?

The PubChem CID of Ecdysone is 19212.

What is the molecular formula of Ecdysone?

The molecular formula of Ecdysone is C27H44O6.

What is the molecular weight of Ecdysone?

The molecular weight of Ecdysone is 464.6 g/mol.

What are some synonyms of Ecdysone?

Some synonyms of Ecdysone are alpha-Ecdysone, 3604-87-3, and RH692X7B7B.

What is the IUPAC name of Ecdysone?

The IUPAC name of Ecdysone is (2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one.

What is the InChI of Ecdysone?

The InChI of Ecdysone is InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1.

What is the canonical SMILES of Ecdysone?

The canonical SMILES of Ecdysone is CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O.

What is the CAS number of Ecdysone?

The CAS number of Ecdysone is 3604-87-3.

What is the ChEMBL ID of Ecdysone?

The ChEMBL ID of Ecdysone is CHEMBL549300.

What is the Wikipedia page for Ecdysone?

The Wikipedia page for Ecdysone is "Ecdysone".