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

[H][C@@]12CC(C)(C)CC[C@]1(CO)CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)\C=C\C6=CC=C(O)C=C6)C(C)(C)[C@]5([H])CC[C@@]34C

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 `Sat Dec 16 02:16:23 UTC 2023` Edited by `admin` on `Sat Dec 16 02:16:23 UTC 2023`
Record UNII	GU7QJ5NM48
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-(E)-COUMAROYLERYTHRODIOL

Common Name

English

3.BETA.-(4-HYDROXYCINNAMOYL)ERYTHRODIOL

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 Sat Dec 16 02:16:23 UTC 2023 , Edited by admin on Sat Dec 16 02:16:23 UTC 2023

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PUBCHEM

10769700

Created by admin on Sat Dec 16 02:16:23 UTC 2023 , Edited by admin on Sat Dec 16 02:16:23 UTC 2023

PRIMARY

FDA UNII

GU7QJ5NM48

Created by admin on Sat Dec 16 02:16:23 UTC 2023 , Edited by admin on Sat Dec 16 02:16:23 UTC 2023

PRIMARY

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