4,6-Cholestadien-3-one

CAS

566-93-8

Catalog Number

ACM566938

Category

Steroidal Compounds

Molecular Weight

382.64

Molecular Formula

C₂₇H₄₂O

MSDS COA Spec Sheet

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Specification

Synonyms

4,6-Cholestadiene-3-one;Cholesta-4,6-dien-3-one;4,6-CHOLESTADIEN-3-ONE;3-KETO-4,6-CHOLESTADIENE;6-DEHYDROCHOLESTENONE

IUPAC Name

(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C

InChI Key

XIWMRKFKSRYSIJ-GYKMGIIDSA-N

Boiling Point

494ºC at 760mmHg

Flash Point

250.7ºC

Density

0.99g/cm³

EC Number

209-299-4

Exact Mass

382.32400

What is the molecular formula of 4,6-Cholestadien-3-one?

The molecular formula of 4,6-Cholestadien-3-one is C27H42O.

What is the molecular weight of 4,6-Cholestadien-3-one?

The molecular weight of 4,6-Cholestadien-3-one is 382.6 g/mol.

What is the IUPAC name of 4,6-Cholestadien-3-one?

The IUPAC name of 4,6-Cholestadien-3-one is (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of 4,6-Cholestadien-3-one?

The InChI of 4,6-Cholestadien-3-one is InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24-,25+,26+,27-/m1/s1.

What is the Canonical SMILES of 4,6-Cholestadien-3-one?

The Canonical SMILES of 4,6-Cholestadien-3-one is CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C.

What is the CAS number of 4,6-Cholestadien-3-one?

The CAS number of 4,6-Cholestadien-3-one is 566-93-8.

How many hydrogen bond donor counts are there in 4,6-Cholestadien-3-one?

There are 0 hydrogen bond donor counts in 4,6-Cholestadien-3-one.

How many rotatable bond counts are there in 4,6-Cholestadien-3-one?

There are 5 rotatable bond counts in 4,6-Cholestadien-3-one.

How many defined atom stereocenter counts are there in 4,6-Cholestadien-3-one?

There are 7 defined atom stereocenter counts in 4,6-Cholestadien-3-one.