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Substance Name: Yuanhuafin
RN: 82870-43-7
InChIKey: YUNIKDZHTDZEHX-RWCOBRMTSA-N

Molecular Formula

  • C29-H32-O10

Molecular Weight

  • 540.562
 
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Names and Synonyms

Results Name

  • Yuanhuafin

Synonyms

  • Yuanhuafin
  • Yuanhuafine

Systematic Name

  • 6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one,10-(acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-

Registry Numbers

CAS Registry Number

  • 82870-43-7

System Generated Number

  • 0082870437

Structure Descriptors

InChI

1S/C29H32O10/c1-13(2)27-21(35-16(5)31)15(4)28-18-11-14(3)20(32)26(18,34)24(33)25(12-30)22(36-25)19(28)23(27)37-29(38-27,39-28)17-9-7-6-8-10-17/h6-11,15,18-19,21-24,30,33-34H,1,12H2,2-5H3/t15-,18?,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-/m1/s1

InChIKey

YUNIKDZHTDZEHX-RWCOBRMTSA-N

Smiles

c1(ccccc1)[C@]12O[C@@]3([C@H]([C@H]4[C@]([C@@H]([C@H]3OC(C)=O)C)(O2)[C@@H]2[C@@](O)(C(C(=C2)C)=O)[C@H](O)[C@@]2(CO)[C@@H]4O2)O1)C(=C)C