URSADIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O2
Molecular Weight	442.7168
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(CCC4=C5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]34C)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=RTLXJEJRLWILSU-GWNGJUQLSA-N

InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23-,24-,27-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O2
Molecular Weight	442.7168
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 `Fri Dec 15 21:50:28 UTC 2023` Edited by `admin` on `Fri Dec 15 21:50:28 UTC 2023`
Record UNII	3D089V7L0K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URSADIOL

Common Name

English

OLEAN-13(18)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-

Common Name

English

COFLODIOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00190819