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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H58O10
Molecular Weight 662.8518
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOCIMICIGENOSIDE A

SMILES

C[C@]1([H])C[C@]2([H])[C@@]([H])(C(C)(C)O[C@]3([C@@]1([H])[C@@]4(C)CC[C@]56C[C@]76CC[C@@]([H])(C(C)(C)[C@]7([H])CC[C@@]5([H])[C@]4(C)[C@@]3([H])O)O[C@@]8([H])[C@@]([H])([C@]([H])([C@]([H])(CO8)O)O)O)O2)OC(=O)C

InChI

InChIKey=TWFVBWUFOFPXEY-VYWUFNEXSA-N
InChI=1S/C37H58O10/c1-18-15-21-28(44-19(2)38)32(5,6)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(45-29-26(41)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H58O10
Molecular Weight 662.8518
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 02:48:54 UTC 2021
Edited
by admin
on Sat Jun 26 02:48:54 UTC 2021
Record UNII
2AQC6W8Q5J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NEOCIMICIGENOSIDE A
Common Name English
.ALPHA.-L-ARABINOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-24-(ACETYLOXY)-16,23:16,25-DIEPOXY-15-HYDROXY-9,19-CYCLOLANOSTAN-3-YL
Systematic Name English
Code System Code Type Description
FDA UNII
2AQC6W8Q5J
Created by admin on Sat Jun 26 02:48:54 UTC 2021 , Edited by admin on Sat Jun 26 02:48:54 UTC 2021
PRIMARY
PUBCHEM
44583839
Created by admin on Sat Jun 26 02:48:54 UTC 2021 , Edited by admin on Sat Jun 26 02:48:54 UTC 2021
PRIMARY
CAS
876726-03-3
Created by admin on Sat Jun 26 02:48:54 UTC 2021 , Edited by admin on Sat Jun 26 02:48:54 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT