Rubitic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O4
Molecular Weight	472.6997
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](O)[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](O)C2(C)C

InChI

InChIKey=DZLAZTJTKXGAGR-ZULNDKKXSA-N

InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(24(30)18(17)2)8-9-20-27(5)12-11-22(31)26(3,4)21(27)16-23(32)29(20,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22+,23-,24+,27-,28-,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O4
Molecular Weight	472.6997
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:18:15 GMT 2023` Edited by `admin` on `Sat Dec 16 16:18:15 GMT 2023`
Record UNII	UZV56W9R2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Rubitic acid

Common Name

English

Urs-12-en-28-oic acid, 3,7-dihydroxy-, (3β,7α)-

Common Name

English

(1S,2R,4aS,6aR,6aR,6bR,7R,8aR,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Systematic Name

English

(3β,7α)-3,7-Dihydroxyurs-12-en-28-oic acid

Common Name

English

Code System Code Type Description

FDA UNII

UZV56W9R2X

Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023

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PUBCHEM

101306767

Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023

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CAS

28348-90-5

Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023

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EPA CompTox

DTXSID701265826

Created by admin on Sat Dec 16 16:18:15 GMT 2023 , Edited by admin on Sat Dec 16 16:18:15 GMT 2023

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