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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H54O9
Molecular Weight 618.7992
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIACEROSIDE A

SMILES

C[C@@]1([H])[C@@]2([H])[C@]([H])(C[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46CC[C@]23C)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])(CO7)O)O)O)O[C@]8([C@]1([H])OC(C)(C)[C@@]8([H])O)O

InChI

InChIKey=SUWXCVINJBVOAI-NMOPOQBHSA-N
InChI=1S/C35H54O9/c1-17-23-19(43-35(40)26(17)44-30(4,5)28(35)39)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18+,19-,20-,22-,23-,24-,25+,26+,27-,28+,31+,32-,33+,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H54O9
Molecular Weight 618.7992
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 03:01:20 UTC 2021
Edited
by admin
on Sat Jun 26 03:01:20 UTC 2021
Record UNII
UJX35XW32G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIACEROSIDE A
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,16.BETA.,22R,23R,24R)-16,23:22,25-DIEPOXY-23,24-DIHYDROXY-9,19-CYCLOLANOST-7-EN-3-YL
Systematic Name English
CIMIACEROSIDE A, (-)-
Common Name English
Code System Code Type Description
PUBCHEM
21591249
Created by admin on Sat Jun 26 03:01:20 UTC 2021 , Edited by admin on Sat Jun 26 03:01:20 UTC 2021
PRIMARY
CAS
210643-83-7
Created by admin on Sat Jun 26 03:01:20 UTC 2021 , Edited by admin on Sat Jun 26 03:01:20 UTC 2021
PRIMARY
FDA UNII
UJX35XW32G
Created by admin on Sat Jun 26 03:01:20 UTC 2021 , Edited by admin on Sat Jun 26 03:01:20 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT