BETULINIC ACID

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O3
Molecular Weight	456.7003
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETULINIC ACID

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)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O)C(C)=C

InChI

InChIKey=QGJZLNKBHJESQX-FZFNOLFKSA-N

InChI=1S/C30H48O3/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/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O3
Molecular Weight	456.7003
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:16 UTC 2023` Edited by `admin` on `Fri Dec 15 16:24:16 UTC 2023`
Record UNII	4G6A18707N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETULINIC ACID

Official Name

English

LUP-20(29)-EN-28-OIC ACID, 3.BETA.-HYDROXY-

Systematic Name

English

NSC-677578

Code

English

BETULINIC ACID [INCI]

Common Name

English

ALS-357

Code

English

BETULIC ACID

Common Name

English

.BETA.-BETULINIC ACID

Common Name

English

BETULINIC ACID [MI]

Common Name

English

LUPATIC ACID

Common Name

English

(3.BETA.)-3-HYDROXYLUP-20(29)-EN-28-OIC ACID

Common Name

English

NSC-113090

Code

English

MAIRIN

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2139

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

FDA ORPHAN DRUG

244107

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

Code System Code Type Description

NSC

113090

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

NCI_THESAURUS

C38126

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

MESH

C002070

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

DRUG BANK

DB12480

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

MERCK INDEX

m2463

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

Merck Index

CHEBI

3087

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

PUBCHEM

64971

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-448-8

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

FDA UNII

4G6A18707N

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

CAS

472-15-1

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

NSC

677578

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

EPA CompTox

DTXSID80861974

Created by admin on Fri Dec 15 16:24:16 UTC 2023 , Edited by admin on Fri Dec 15 16:24:16 UTC 2023

PRIMARY

WIKIPEDIA

BETULINIC ACID

Created by admin on Fri Dec 15 16:24:17 UTC 2023 , Edited by admin on Fri Dec 15 16:24:17 UTC 2023

PRIMARY

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