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Substance Name: Kadsulactone A
RN: 132296-71-0
InChIKey: APOPUTYAPYVYFW-HLNDSBHSSA-N

Molecular Formula

  • C30-H42-O5

Molecular Weight

  • 482.657
 
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Names and Synonyms

Results Name

  • Kadsulactone A

Synonyms

  • 6-O-Deacetylschisanbilactone A
  • Kadsulactone A

Systematic Name

  • 3H,6H-Cyclopenta(5,6)cyclopropa(1,8a)naphth(2,1-c)oxepin-3-one, 9-((1S)-1-((2S)-3,6-dihydro-5-methyl-6-oxo-2H-pyran-2-yl)ethyl)-1,7,8,8a,9,10,11,11a,11b,12,13,13a-dodecahydro-13-hydroxy-1,1,8a,11a-tetramethyl-, (5aS,6aS,8aR,9R,11aS,11bS,13R,13aS)-

Registry Numbers

CAS Registry Number

  • 132296-71-0

System Generated Number

  • 0132296710

Structure Descriptors

InChI

1S/C30H42O5/c1-17-7-8-21(34-25(17)33)18(2)19-9-11-28(6)22-15-20(31)24-26(3,4)35-23(32)10-12-30(24)16-29(22,30)14-13-27(19,28)5/h7,10,12,18-22,24,31H,8-9,11,13-16H2,1-6H3/t18-,19+,20+,21-,22-,24-,27+,28-,29-,30+/m0/s1

InChIKey

APOPUTYAPYVYFW-HLNDSBHSSA-N

Smiles

O1C(C(=CC[C@H]1[C@H]([C@H]1CC[C@@]2([C@@H]3C[C@@H](O)[C@@H]4[C@@]5(C=CC(OC4(C)C)=O)C[C@@]35CC[C@@]12C)C)C)C)=O