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Substance Name: Arvenin I
RN: 65247-27-0
InChIKey: PQOVWWZVVIGRPP-BBANTJNRSA-N

Note

  • Isolated from Cigarrilla mexicana.

Molecular Formula

  • C38-H56-O13

Molecular Weight

  • 720.847
 
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Names and Synonyms

Name of Substance

  • Arvenin I

Systematic Name

  • 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2-(beta-D-glucophranosyloxy)-16,20-dihydroxy-9-methyl-, (2beta, 9beta, 10apha, 16alpha,23E)-

Registry Numbers

CAS Registry Number

  • 65247-27-0

System Generated Number

  • 0065247270

Structure Descriptors

InChI

1S/C38H56O13/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/h10,12-13,20-24,27-30,32,39,41,44-46,48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1

InChIKey

PQOVWWZVVIGRPP-BBANTJNRSA-N

Smiles

C1([C@H](C[C@H]2[C@@]3(C(C[C@@]4([C@H]([C@@H](C[C@@]4([C@@H]3CC=C2C1(C)C)C)O)[C@@](C(\C=C\C(C)(C)OC(=O)C)=O)(C)O)C)=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=O