Ecdysone

• Catalog Number: ACM3604873
• Product Name: Ecdysone
• CAS: 3604-87-3
• Category: Steroidal Compounds
• 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
• Molecular Weight: 464.63
• Molecular Formula: C27H44O6
• 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: 3

Custom Q&A

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".