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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H56O11
Molecular Weight 676.8339
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE

SMILES

[H][C@]12C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@H](O)[C@]7(O[C@H]7C(C)(C)O)O2)CC[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C5(C)C

InChI

InChIKey=CNSJLMJKDVWQGM-VYBDBSRDSA-N
InChI=1S/C37H56O11/c1-17-25-20(47-37(28(17)42)30(48-37)32(5,6)43)13-33(7)22-10-9-21-31(3,4)23(46-29-27(41)26(40)19(39)15-44-29)11-12-35(21)16-36(22,35)14-24(34(25,33)8)45-18(2)38/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19+,20-,21-,23-,24+,25-,26-,27+,28+,29-,30-,33-,34+,35+,36-,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula C37H56O11
Molecular Weight 676.8339
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 Dec 16 02:07:53 UTC 2023
Edited
by admin
on Sat Dec 16 02:07:53 UTC 2023
Record UNII
Q46GZJ671C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,22R,23R,24S)-12-(ACETYLOXY)-16,23:23,24-DIEPOXY-22,25-DIHYDROXY-9,19-CYCLOLANOST-7-EN-3-YL
Systematic Name English
ACTAEAEPOXIDE-3-O-.BETA.-D-XYLOPYRANOSIDE, (-)-
Common Name English
Code System Code Type Description
FDA UNII
Q46GZJ671C
Created by admin on Sat Dec 16 02:07:53 UTC 2023 , Edited by admin on Sat Dec 16 02:07:53 UTC 2023
PRIMARY
CAS
356522-35-5
Created by admin on Sat Dec 16 02:07:53 UTC 2023 , Edited by admin on Sat Dec 16 02:07:53 UTC 2023
PRIMARY
PUBCHEM
15515494
Created by admin on Sat Dec 16 02:07:53 UTC 2023 , Edited by admin on Sat Dec 16 02:07:53 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT