ANDROSTA-1,4-DIENE-3,17-DIOL, 4-CHLORO-17-METHYL-, (3.ALPHA.,17.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H29ClO2
Molecular Weight	336.896
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ANDROSTA-1,4-DIENE-3,17-DIOL, 4-CHLORO-17-METHYL-, (3.ALPHA.,17.BETA.)-

Structure Search

SMILES

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

InChI

InChIKey=ZHWBNJVZZYSUJZ-BUTDJBELSA-N

InChI=1S/C20H29ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,16,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,16-,18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H29ClO2
Molecular Weight	336.896
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:09:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:09:49 GMT 2023`
Record UNII	C08M47OG8T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDROSTA-1,4-DIENE-3,17-DIOL, 4-CHLORO-17-METHYL-, (3.ALPHA.,17.BETA.)-

Common Name

English

Code System Code Type Description

CAS

1338221-87-6

Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023

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FDA UNII

C08M47OG8T

Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023

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PUBCHEM

29976102

Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023

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