BETULONIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H46O3
Molecular Weight	454.6844
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O)C(C)=C

InChI

InChIKey=SLJTWDNVZKIDAU-SVAFSPIFSA-N

InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H46O3
Molecular Weight	454.6844
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:45 UTC 2023` Edited by `admin` on `Sat Dec 16 14:51:45 UTC 2023`
Record UNII	7C1UV6ITF5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETULONIC ACID

Common Name

English

LIQUIDAMBRONIC ACID

Common Name

English

LUP-20(30)-EN-28-OIC ACID, 3-OXO-

Systematic Name

English

BETUNOLIC ACID

Common Name

English

LUP-20(29)-EN-28-OIC ACID, 3-OXO-

Systematic Name

English

NSC-152534

Code

English

LIQUIDAMBARIC ACID

Common Name

English

MJ-347-RS

Code

English

3-OXOBETULINIC ACID

Systematic Name

English

3-OXOLUP-20(29)-EN-28-OIC ACID

Systematic Name

English

BETULONIC ACID, (+)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

122844