LUPEOL BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H54O2
Molecular Weight	530.8235
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6=CC=CC=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12

InChI

InChIKey=GGGPJWXHMZSCEW-WEZIXBNWSA-N

InChI=1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H54O2
Molecular Weight	530.8235
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:19:04 GMT 2025` Edited by `admin` on `Mon Mar 31 21:19:04 GMT 2025`
Record UNII	RL9B2A4AF1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUPEOL BENZOATE

Common Name

English

NSC-1151

Preferred Name

English

LUPEOL BENZOATE [MI]

Common Name

English

NSC-43869

Code

English

LUP-20(29)-EN-3-OL, 3-BENZOATE, (3.BETA.)-

Common Name

English

LUP-20(29)-EN-3.BETA.-OL, BENZOATE

Common Name

English

3-O-BENZOYL-.BETA.-LUPEOL

Common Name

English

LUP-20(30)-EN-3.BETA.-OL, BENZOATE

Common Name

English

LUP-20(29)-EN-3-OL, BENZOATE, (3.BETA.)-

Common Name

English

Code System Code Type Description

NSC

43869