.ALPHA.-AMYRIN 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

[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]34C)[C@@]1(C)CC[C@H](OC(=O)C6=CC=CC=C6)C2(C)C

InChI

InChIKey=IGRQFDSINDYBII-CHJSFGPSSA-N

InChI=1S/C37H54O2/c1-24-16-19-34(5)22-23-36(7)27(31(34)25(24)2)14-15-29-35(6)20-18-30(39-32(38)26-12-10-9-11-13-26)33(3,4)28(35)17-21-37(29,36)8/h9-14,24-25,28-31H,15-23H2,1-8H3/t24-,25+,28+,29-,30+,31+,34-,35+,36-,37-/m1/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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:52:56 GMT 2023` Edited by `admin` on `Sat Dec 16 09:52:56 GMT 2023`
Record UNII	R1N4CHY77O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-AMYRIN BENZOATE

Common Name

English

URS-12-EN-3-OL, 3-BENZOATE, (3.BETA.)-

Systematic Name

English

NSC-156235

Code

English

URS-12-EN-3-OL, BENZOATE, (3.BETA.)-

Systematic Name

English

URS-12-EN-3.BETA.-OL, BENZOATE

Common Name

English

.ALPHA.-AMYRIN BENZOATE [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00303048