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Substance Name: Andirobicin B glucoside
RN: 151703-10-5
InChIKey: FKNMUGKCXFULAT-XBFFBVMRSA-N

Note

  • A heptanorcucurbitacin isolated from Fevillea trilobata.

Molecular Weight

  • 548.625
 
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Names and Synonyms

Name of Substance

  • Andirobicin B glucoside

Synonym

  • 22,23,24,25,26,27,29-Heptanor-1,2,3,4,5,10-dehydro-2-O-glucopyranosyl-3,16-dihydroxycucurbita-11,20-dione

Systematic Name

  • 19-Norpregna-1,3,5(10)-triene-11,20-dione, 2-(beta-D-glucopyranosyloxy)-3,16-dihydroxy-4,9,14-trimethyl-, (9beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 151703-10-5

System Generated Number

  • 0151703105

Structure Descriptors

InChI

1S/C29H40O10/c1-12-14-6-7-19-27(3)9-16(32)21(13(2)31)28(27,4)10-20(33)29(19,5)15(14)8-17(22(12)34)38-26-25(37)24(36)23(35)18(11-30)39-26/h8,16,18-19,21,23-26,30,32,34-37H,6-7,9-11H2,1-5H3/t16-,18-,19+,21+,23-,24+,25-,26-,27?,28-,29+/m1/s1

InChIKey

FKNMUGKCXFULAT-XBFFBVMRSA-N

Smiles

c1(c(cc2[C@@]3(C(C[C@@]4([C@H]([C@@H](C[C@@]4([C@@H]3CCc2c1C)C)O)C(C)=O)C)=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O