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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 of PHYTOLACCAGENIC ACID

SMILES

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

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 Sat Dec 16 09:09:37 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:37 GMT 2023
Record UNII
4L8N263YKD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHYTOLACCAGENIC ACID
Common Name English
PHYTOLACCINIC 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 Sat Dec 16 09:09:37 GMT 2023 , Edited by admin on Sat Dec 16 09:09:37 GMT 2023
PRIMARY
CAS
54928-05-1
Created by admin on Sat Dec 16 09:09:37 GMT 2023 , Edited by admin on Sat Dec 16 09:09:37 GMT 2023
PRIMARY
PUBCHEM
13878342
Created by admin on Sat Dec 16 09:09:37 GMT 2023 , Edited by admin on Sat Dec 16 09:09:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID50970264
Created by admin on Sat Dec 16 09:09:37 GMT 2023 , Edited by admin on Sat Dec 16 09:09:37 GMT 2023
PRIMARY