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Substance Name: Yunnanxane
RN: 139713-81-8
InChIKey: FMPIEMVVEJGMCY-HROBNECESA-N

Note

  • From Taxus yunnanensis.

Molecular Formula

  • C31-H46-O9

Molecular Weight

  • 562.695
 
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Names and Synonyms

Name of Substance

  • Yunnanxane

Systematic Name

  • Butanoic acid, 3-hydroxy-2-methyl-, 3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (3S-(3alpha,4aalpha,5alpha,6beta,7beta(2S*,3R*),11beta,12abeta))-

Registry Numbers

CAS Registry Number

  • 139713-81-8

System Generated Number

  • 0139713818

Structure Descriptors

InChI

1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22?,23+,24-,26-,27-,28-,31-/m1/s1

InChIKey

FMPIEMVVEJGMCY-HROBNECESA-N

Smiles

C([C@@H]([C@H](C)O)C)(=O)O[C@H]1CC(=C2[C@@H](C[C@@]3([C@@H]([C@H]([C@H]1C2(C)C)OC(=O)C)C([C@@H](CC3)OC(=O)C)=C)C)OC(=O)C)C