11-alpha-Hydroxycarvenone

Catalog Number	ACM192569178-1
CAS	192569-17-8
Structure
Synonyms	11-α-Hydroxycarvenone
IUPAC Name	(8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Molecular Weight	356.46
Molecular Formula	C22H28O4
Canonical SMILES	CC12CCC(=O)C=C1C=CC3C2C(CC4(C3CCC45CCC(=O)O5)C)O
InChI	RJTDWMKVQUPGSY-NYTLBARGSA-N
InChI Key	InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1
Boiling Point	584.7±50.0 °C(Predicted)
Melting Point	232-234 °C
Flash Point	207.3 °C
Purity	97%
Density	1.25 g/cm3
Appearance	Yellow crystalline solid
EC Number	606-276-4
Exact Mass	356.19900
Isomeric SMILES	C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)O

Q&A

What is the PubChem CID for 11-Alpha-hydroxycarvenone?

PubChem CID: 10861210

What is the molecular formula of 11-Alpha-hydroxycarvenone?

Molecular Formula: C22H28O4

What are the synonyms for 11-Alpha-hydroxycarvenone?

Synonyms: 11alpha-Hydroxycanrenone, 192569-17-8, 11-alpha-Hydroxycarvenone, (8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione, Pregna-4,6-diene-21-carboxylic acid, 11,17-dihydroxy-3-oxo-, gamma-lactone, (11alpha,17alpha)-

What is the molecular weight of 11-Alpha-hydroxycarvenone?

Molecular Weight: 356.5 g/mol

What is the IUPAC name of 11-Alpha-hydroxycarvenone?

IUPAC Name: (8S,9S,10R,11R,13S,14S,17R)-11-hydroxy-10,13-dimethylspiro[2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

What is the InChI of 11-Alpha-hydroxycarvenone?

InChI: InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

What is the InChIKey of 11-Alpha-hydroxycarvenone?

InChIKey: RJTDWMKVQUPGSY-NYTLBARGSA-N

What is the Canonical SMILES of 11-Alpha-hydroxycarvenone?

Canonical SMILES: CC12CCC(=O)C=C1C=CC3C2C(CC4(C3CCC45CCC(=O)O5)C)O

How many hydrogen bond donors are there in 11-Alpha-hydroxycarvenone?

Hydrogen Bond Donor Count: 1