3-O-(E)-COUMAROYLERYTHRODIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H56O4
Molecular Weight	588.8595
Optical Activity	( + )
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-O-(E)-COUMAROYLERYTHRODIOL

Structure Search

SMILES

CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI

InChIKey=JIHRTYNJAACOFO-DMJWQGLTSA-N

InChI=1S/C39H56O4/c1-34(2)20-22-39(25-40)23-21-37(6)28(29(39)24-34)13-14-31-36(5)18-17-32(35(3,4)30(36)16-19-38(31,37)7)43-33(42)15-10-26-8-11-27(41)12-9-26/h8-13,15,29-32,40-41H,14,16-25H2,1-7H3/b15-10+/t29-,30-,31+,32-,36-,37+,38+,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H56O4
Molecular Weight	588.8595
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:11:50 GMT 2025` Edited by `admin` on `Mon Mar 31 21:11:50 GMT 2025`
Record UNII	GU7QJ5NM48
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3.BETA.-(4-HYDROXYCINNAMOYL)ERYTHRODIOL

Preferred Name

English

3-O-(E)-COUMAROYLERYTHRODIOL

Common Name

English

OLEAN-12-ENE-3,28-DIOL, 3-(3-(4-HYDROXYPHENYL)-2-PROPENOATE), (3.BETA.(E))-

Systematic Name

English

OLEAN-12-ENE-3,28-DIOL, 3-(2E)-3-(4-HYDROXYPHENYL)-2-PROPENOATE, (3.BETA.)-

Common Name

English

Code System Code Type Description

CAS

113476-64-5

Created by admin on Mon Mar 31 21:11:50 GMT 2025 , Edited by admin on Mon Mar 31 21:11:50 GMT 2025

PRIMARY

PUBCHEM

10769700

Created by admin on Mon Mar 31 21:11:50 GMT 2025 , Edited by admin on Mon Mar 31 21:11:50 GMT 2025

PRIMARY

FDA UNII

GU7QJ5NM48

Created by admin on Mon Mar 31 21:11:50 GMT 2025 , Edited by admin on Mon Mar 31 21:11:50 GMT 2025

PRIMARY

Related Record Type Details


					B755J144H1

LARREA TRIDENTATA WHOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Amount: