ERYTHRODIOL-3-CAFFEATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H56O5
Molecular Weight	604.8589
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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(O)=C(O)C=C6)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=NPRKWCDSDHHADP-IFMOQUEQSA-N

InChI=1S/C39H56O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,27,30-32,40-42H,12,14-21,23-24H2,1-7H3/b13-9+/t27-,30-,31+,32-,36-,37+,38+,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H56O5
Molecular Weight	604.8589
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 18:52:41 GMT 2023` Edited by `admin` on `Sat Dec 16 18:52:41 GMT 2023`
Record UNII	C7LY4E9N7N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERYTHRODIOL-3-CAFFEATE

Common Name

English

((3S,4AR,6AR,6BS,8AS,12AS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6A,6B,11,11,14B-HEPTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-YL) (E)-3-(3,4-DIHYDROXYPHENYL)PROP-2-ENOATE

Systematic Name

English

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

Systematic Name

English

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

Common Name

English

3.BETA.-(3,4-DIHYDROXYCINNAMOYL)ERYTHRODIOL

Common Name

English

Code System Code Type Description

CAS

113493-20-2

Created by admin on Sat Dec 16 18:52:41 GMT 2023 , Edited by admin on Sat Dec 16 18:52:41 GMT 2023

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PUBCHEM

13993264

Created by admin on Sat Dec 16 18:52:41 GMT 2023 , Edited by admin on Sat Dec 16 18:52:41 GMT 2023

PRIMARY

FDA UNII

C7LY4E9N7N

Created by admin on Sat Dec 16 18:52:41 GMT 2023 , Edited by admin on Sat Dec 16 18:52:41 GMT 2023

PRIMARY

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