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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H58O10
Molecular Weight 662.8518
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 23-O-ACETYLSHENGMANOL-3-O-.ALPHA.-L-ARABINOSIDE

SMILES

C[C@]([H])(C[C@]([H])([C@@]1([H])C(C)(C)O1)OC(=O)C)[C@@]2([H])C(=O)[C@@]([H])([C@@]3(C)[C@]4([H])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

InChI

InChIKey=IHEJMZHKJYHVFF-NETQQFODSA-N
InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,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 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

23-O-Acetylshengmanol-3-O-α-L-Arabinoside is an epimer of Acetylshengmanol Arabinoside. Both of which are obtained from rhizomes of Cimicifuga racemosa.

Originator

Curator's Comment:: Collaborative Research in the Pharmaceutical Sciences (PCRPS, M/C 877), and UIC/ NIH Center for Botanical Dietary Supplements Research,

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Jun 26 11:12:17 UTC 2021
Edited
by admin
on Sat Jun 26 11:12:17 UTC 2021
Record UNII
408998370C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
23-O-ACETYLSHENGMANOL-3-O-.ALPHA.-L-ARABINOSIDE
Common Name English
9,19-CYCLOLANOSTAN-16-ONE, 23-(ACETYLOXY)-3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-24,25-EPOXY-15-HYDROXY-, (3.BETA.,15.ALPHA.,23R,24S)-
Systematic Name English
23-O-ACETYLSHENGMANOL-3-O-.ALPHA.-L-ARABINOSIDE, (-)-
Common Name English
Code System Code Type Description
CAS
402513-88-6
Created by admin on Sat Jun 26 11:12:17 UTC 2021 , Edited by admin on Sat Jun 26 11:12:17 UTC 2021
PRIMARY
FDA UNII
408998370C
Created by admin on Sat Jun 26 11:12:17 UTC 2021 , Edited by admin on Sat Jun 26 11:12:17 UTC 2021
PRIMARY
PUBCHEM
10865257
Created by admin on Sat Jun 26 11:12:17 UTC 2021 , Edited by admin on Sat Jun 26 11:12:17 UTC 2021
PRIMARY
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