11-Oxoursolic acid acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O5
Molecular Weight	512.7205
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@]3(C)[C@]([H])(C(=O)C=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](OC(C)=O)C2(C)C

InChI

InChIKey=XDHCWTUZCOFKRH-CIKBGXLUSA-N

InChI=1S/C32H48O5/c1-18-9-14-32(27(35)36)16-15-30(7)21(25(32)19(18)2)17-22(34)26-29(6)12-11-24(37-20(3)33)28(4,5)23(29)10-13-31(26,30)8/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23+,24+,25+,26-,29+,30-,31-,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O5
Molecular Weight	512.7205
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:37 GMT 2023` Edited by `admin` on `Sat Dec 16 15:26:37 GMT 2023`
Record UNII	2JV36G5X6D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11-Oxoursolic acid acetate

Common Name

English

NSC-33403

Code

English

(3β)-3-(Acetyloxy)-11-oxours-12-en-28-oic acid

Common Name

English

Urs-12-en-28-oic acid, 3β-hydroxy-11-oxo-, acetate

Common Name

English

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

Systematic Name

English

Urs-12-en-28-oic acid, 3-(acetyloxy)-11-oxo-, (3β)-

Common Name

English

Code System Code Type Description

PUBCHEM

234102