CALENDULADIOL

First approved in 2020

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

CC(=C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H]2O

InChI

InChIKey=AJBZENLMTKDAEK-SKESNUHASA-N

InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)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+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O2
Molecular Weight	442.7168
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Antitubercular activity of triterpenoids from Asteraceae flowers.	2005-01	15635183
Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase.	2001-05	11432464

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:06:23 GMT 2025` Edited by `admin` on `Mon Mar 31 20:06:23 GMT 2025`
Record UNII	5F669S8218
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALENDULADIOL

Common Name

English

NSC-133914

Preferred Name

English

(1R,3AS,4S,5AR,5BR,7AR,9S,11AR,11BR,13AR,13BR)-1-ISOPROPENYL-3A,5A,5B,8,8,11A-HEXAMETHYL-EICOSAHYDRO-CYCLOPENTA(A)CHRYSENE-4,9-DIOL

Common Name

English

LUP-20(29)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-

Common Name

English

NSC-92227

Code

English

THURBERIN

Common Name

English

LUP-20(29)-ENE-3.BETA.,16.BETA.-DIOL

Common Name

English

LUP-20(30)-ENE-3.BETA.,16.BETA.-DIOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10905678