PHYTOLACCAGENIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H48O6
Molecular Weight	516.7092
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

InChI

InChIKey=YAGYBNOEVSEGSL-HGDAMUQJSA-N

InChI=1S/C31H48O6/c1-26(25(36)37-6)13-15-31(24(34)35)16-14-29(4)19(20(31)17-26)7-8-22-27(2)11-10-23(33)28(3,18-32)21(27)9-12-30(22,29)5/h7,20-23,32-33H,8-18H2,1-6H3,(H,34,35)/t20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H48O6
Molecular Weight	516.7092
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 `Mon Mar 31 22:31:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:31:49 GMT 2025`
Record UNII	4L8N263YKD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHYTOLACCINIC ACID

Preferred Name

English

PHYTOLACCAGENIC ACID

Common Name

English

OLEAN-12-ENE-28,29-DIOIC ACID, 3,23-DIHYDROXY-, 29-METHYL ESTER, (3.BETA.,4.ALPHA.,20.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4L8N263YKD

Created by admin on Mon Mar 31 22:31:49 GMT 2025 , Edited by admin on Mon Mar 31 22:31:49 GMT 2025

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CAS

54928-05-1

Created by admin on Mon Mar 31 22:31:49 GMT 2025 , Edited by admin on Mon Mar 31 22:31:49 GMT 2025

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PUBCHEM

13878342

Created by admin on Mon Mar 31 22:31:49 GMT 2025 , Edited by admin on Mon Mar 31 22:31:49 GMT 2025

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EPA CompTox

DTXSID50970264

Created by admin on Mon Mar 31 22:31:49 GMT 2025 , Edited by admin on Mon Mar 31 22:31:49 GMT 2025

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