16-DEHYDROPROGESTERONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H28O2
Molecular Weight	312.4458
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC=C(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=VRRHHTISESGZFN-RKFFNLMFSA-N

InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H28O2
Molecular Weight	312.4458
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Bioconversion of 3 beta-acetoxypregna-5,16-diene-20-one to androsta-1,4-diene-3,17-dione by mixed bacterial culture.	2002	12100580
Guggulsterones induce apoptosis and differentiation in acute myeloid leukemia: identification of isomer-specific antileukemic activities of the pregnadienedione structure.	2005 Dec	16373713

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:14:43 GMT 2023` Edited by `admin` on `Sat Dec 16 05:14:43 GMT 2023`
Record UNII	JU0YQ9DZ2O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

16-DEHYDROPROGESTERONE

Common Name

English

PREGNA-4,16-DIENE-3,20-DIONE

Systematic Name

English

.DELTA.16-PROGESTERONE

Common Name

English

16,17-DIDEHYDROPROGESTERONE

Common Name

English

NSC-9785

Code

English

3,20-DIOXOPREGNA-4,16-DIENE

Systematic Name

English

NSC-11037

Code

English

Code System Code Type Description

PUBCHEM

101964