3.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O4
Molecular Weight	350.4923
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])CC[C@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=VHYUGQIWISVBRT-SUTVCERISA-N

InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O4
Molecular Weight	350.4923
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:20:04 GMT 2023` Edited by `admin` on `Sat Dec 16 08:20:04 GMT 2023`
Record UNII	7G74CW77XH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.ALPHA.,11.BETA.,17.ALPHA.-TRIHYDROXY-5.BETA.-PREGNAN-20-ONE

Common Name

English

1-((3R,5R,8S,9S,10S,11S,13S,14S,17R)-3,11,17-TRIHYDROXY-10,13-DIMETHYL-1,2,3,4,5,6,7,8,9,11,12,14,15,16-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL)ETHANONE

Systematic Name

English

J846.207K

Code

English

3-ALPHA,11-BETA,17-ALPHA-TRIHYDROXY-5-BETA-PREGNAN-20-ONE

Common Name

English

TIXOCORTOL PIVALATE METABOLITE M8

Common Name

English

C15403

Code

English

TETRAHYDRO-21-DEOXYCORTISOL

Common Name

English

PREGNAN-20-ONE, 3,11,17-TRIHYDROXY-, (3.ALPHA.,5.BETA.,11.BETA.)-

Systematic Name

English

NSC-53891

Code

English

Code System Code Type Description

CAS

7252-91-7