ARNIDIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O2
Molecular Weight	442.7168
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H](O)[C@@]5(C)CCC(=C)[C@@H](C)[C@]25[H]

InChI

InChIKey=IOPDFSGGBHSXSV-IMLFCHQCSA-N

InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)20(25(28)19(18)2)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O2
Molecular Weight	442.7168
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Antitubercular activity of triterpenoids from Asteraceae flowers.	2005 Jan	15635183

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:17:00 GMT 2023` Edited by `admin` on `Fri Dec 15 20:17:00 GMT 2023`
Record UNII	B94L6R1Z6C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ARNIDIOL

Common Name

English

(3S,4AR,6AR,6BR,8S,8AS,12S,12AS,12BR,14BR)-4,4,6A,6B,8A,12,14B-HEPTAMETHYL-11-METHYLENE-DOCOSAHYDRO-PICENE-3,8-DIOL

Common Name

English

URS-20(30)-ENE-3,16-DIOL, (3.BETA.,16.BETA.,18.ALPHA.,19.ALPHA.)-

Common Name

English

18.ALPHA.,19.BETA.H-URS-20(30)-ENE-3.BETA.,12-DIOL

Common Name

English

3.BETA.,16.BETA.-DIHYDROXYTARAXENE

Common Name

English

ARNIDENEDIOL

Common Name

English

Code System Code Type Description

CAS

6750-30-7