DARUTIGENOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H34O3
Molecular Weight	322.4822
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO

InChI

InChIKey=NCAZLDCEJHFJDT-KHKZNYETSA-N

InChI=1S/C20H34O3/c1-18(2)15-6-5-13-11-19(3,17(23)12-21)9-7-14(13)20(15,4)10-8-16(18)22/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16-,17+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H34O3
Molecular Weight	322.4822
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:44:05 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:05 GMT 2025`
Record UNII	XTZ5NBR55T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DARUTIGENOL

Common Name

English

NSC-310619

Preferred Name

English

Darutoside aglycon

Common Name

English

(1R)-1-[(2S,4aR,4bS,7R,8aS)-7-hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol

Systematic Name

English

1,2-Ethanediol, 1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-, (1R)-

Systematic Name

English

(1R)-1-[(2S,4aR,4bS,7R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-Dodecahydro-7-hydroxy-2,4b,8,8-tetramethyl-2-phenanthrenyl]-1,2-ethanediol

Systematic Name

English

Code System Code Type Description

CAS

5940-00-1