ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H36O3
Molecular Weight	360.5301
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)OC(C)=O

InChI

InChIKey=OCALFWPYWJWRRG-QHGJAOADSA-N

InChI=1S/C23H36O3/c1-14(26-15(2)24)19-7-8-20-18-6-5-16-13-17(25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16,18-21H,5-13H2,1-4H3/t14-,16+,18+,19-,20+,21+,22+,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H36O3
Molecular Weight	360.5301
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:16:52 GMT 2023` Edited by `admin` on `Sat Dec 16 09:16:52 GMT 2023`
Record UNII	WPA50V1466
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE

Common Name

English

PREGNAN-3-ONE, 20-(ACETYLOXY)-, (5.ALPHA.,20R)-

Systematic Name

English

ALLOPREGNAN-20.BETA.-OL-3-ONE ACETATE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m1540