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Substance Name: Khasianine
RN: 32449-98-2
InChIKey: KRQDMAXNTWLTDZ-FXQMNGNYSA-N

Molecular Formula

  • C39-H63-N-O11

Molecular Weight

  • 721.923
 
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Names and Synonyms

Name of Substance

  • Khasianine

Synonyms

  • Khasianine
  • L-Rhamnopyranosyl-14-D-glucopyranose solasodine
  • NSC 376459

Systematic Name

  • beta-D-Glucopyranoside, (3beta,22alpha,25R)-spirosol-5-en-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-

Registry Numbers

CAS Registry Number

  • 32449-98-2

System Generated Number

  • 0032449982

Structure Descriptors

InChI

1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36-,37+,38+,39?/m1/s1

InChIKey

KRQDMAXNTWLTDZ-FXQMNGNYSA-N

Smiles

O1[C@H]([C@H](O)[C@H](O)[C@H]([C@@H]1CO)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H]([C@@H]3CC=C2C1)C[C@@H]1O[C@@]2([C@H]([C@H]41)C)NC[C@H](C)CC2)C)C