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Substance Name: Acetylshengmanol xyloside
RN: 62498-88-8
UNII: V2P38EX6FT
InChIKey: IHEJMZHKJYHVFF-JUKRZFGDSA-N

Molecular Formula

  • C37-H58-O10

Molecular Weight

  • 662.8552
 
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Names and Synonyms

Results Name

  • Acetylshengmanol xyloside

Name of Substance

  • 3-O-Acetylshengmanol 3-o-beta-D-xyloside

Synonyms

  • Acetylshengmanol xyloside
  • UNII-V2P38EX6FT

Systematic Name

  • 9,19-Cyclolanostan-16-one, 23-(acetyloxy)-24,25-epoxy-15-hydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,23R,24S)-

Registry Numbers

CAS Registry Number

  • 62498-88-8

FDA UNII

  • V2P38EX6FT

System Generated Number

  • 0062498888

Structure Descriptors

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

InChIKey

IHEJMZHKJYHVFF-JUKRZFGDSA-N

Smiles

C[C@H](C[C@@H](OC(=O)C)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@H](CC[C@@]56C[C@@]46CC[C@]23C)O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O