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Substance Name: 2-O-Glucopyranosylcucurbitacin F-25-acetate
RN: 117869-71-3
InChIKey: JXLGHGQDRCPDGI-HEKOSTPLSA-N

Note

  • Isolated from Cigarrilla mexicana.

Molecular Formula

  • C38-H58-O13

Molecular Weight

  • 722.863
 
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Names and Synonyms

Name of Substance

  • 2-O-Glucopyranosylcucurbitacin F-25-acetate

Synonym

  • Gpc acetate

Systematic Name

  • 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-2-(beta-D-glucopyranosyloxy)-3,16,20-trihydroxy-9-methyl-, (2beta,3alpha,9beta,10alpha,16alpha,23E)-

Registry Numbers

CAS Registry Number

  • 117869-71-3

System Generated Number

  • 0117869713

Structure Descriptors

InChI

1S/C38H58O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-32,39,41,44-48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,31-,32-,35+,36-,37+,38+/m1/s1

InChIKey

JXLGHGQDRCPDGI-HEKOSTPLSA-N

Smiles

C1[C@@H]([C@H](C(C)(C)C2=CC[C@H]3[C@]4(C)C[C@H]([C@@H]([C@@](C(\C=C\C(C)(C)OC(=O)C)=O)(C)O)[C@@]4(C)CC([C@@]3([C@H]12)C)=O)O)O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO