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Substance Name: Nimbolin B
RN: 24480-42-0
InChIKey: YVGHEOPJZLXYKH-OUKQBFOZSA-N

Molecular Formula

  • C39-H46-O10

Molecular Weight

  • 674.782
 
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Names and Synonyms

Results Name

  • Nimbolin B

Synonym

  • Nimbolin B, (-)-

Systematic Name

  • Cinnamic acid, 2beta-(3-furyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a- tetradecahydro-5,7beta,9beta-trihydroxy- 1,6balpha,9aalpha,12aalpha-tetramethyl-2H,5H-cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-12beta-yl ester 7,9-diacetate, (-)-

Registry Numbers

CAS Registry Number

  • 24480-42-0

System Generated Number

  • 0024480420

Structure Descriptors

InChI

1S/C39H46O10/c1-21-26(25-14-15-44-19-25)16-27-33(21)39(6)28(17-32(43)48-27)38(5)30(47-23(3)41)18-29(46-22(2)40)37(4)20-45-34(35(37)38)36(39)49-31(42)13-12-24-10-8-7-9-11-24/h7-15,19,26-30,32,34-36,43H,16-18,20H2,1-6H3/b13-12+

InChIKey

YVGHEOPJZLXYKH-OUKQBFOZSA-N

Smiles

c1cc(\C=C\C(O[C@@H]2[C@@H]3OC[C@@]4([C@@H](C[C@@H]([C@@]([C@@H]34)([C@@H]3[C@@]2(C=2[C@@H](O[C@@H](C3)O)C[C@@H](c3cocc3)C2C)C)C)OC(C)=O)OC(C)=O)C)=O)ccc1