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Substance Name: Andirobicin A glucoside
RN: 151703-09-2
InChIKey: FSGJPKCVUUKVDV-IRFBWZKWSA-N

Note

  • A norcucurbitacin isolated from Fevillea trilobata.

Molecular Weight

  • 678.811
 
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Names and Synonyms

Name of Substance

  • Andirobicin A glucoside

Synonym

  • 29-Nor-1,2,3,4,5,10-dehydro-25-methoxy-2-O-glucopyranosyl-3,16,20,22-tetrahydroxy-11-oxocucurbit-23-ene

Systematic Name

  • 19-Norcholesta-1,3,5(10),23-tetraen-11-one, 2-(beta-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-25-methoxy-4,9,14-trimethyl-, (9beta,16alpha)-

Registry Numbers

CAS Registry Number

  • 151703-09-2

System Generated Number

  • 0151703092

Structure Descriptors

InChI

1S/C36H54O12/c1-17-18-9-10-23-33(4)14-20(38)30(36(7,45)24(39)11-12-32(2,3)46-8)34(33,5)15-25(40)35(23,6)19(18)13-21(26(17)41)47-31-29(44)28(43)27(42)22(16-37)48-31/h11-13,20,22-24,27-31,37-39,41-45H,9-10,14-16H2,1-8H3/b12-11+/t20-,22-,23+,24?,27-,28+,29-,30+,31-,33?,34-,35+,36+/m1/s1

InChIKey

FSGJPKCVUUKVDV-IRFBWZKWSA-N

Smiles

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