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Substance Name: Ohchinolide B
RN: 71902-49-3
InChIKey: CSXRQWINVNDPIA-RMFXMXFGSA-N

Molecular Formula

  • C35-H44-O10

Molecular Weight

  • 624.723
 
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Names and Synonyms

Results Name

  • Ohchinolide B

Synonym

  • Ohchinolide B

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (2R,3aS,6aR,6bR,7S,9R,9aR,11aR,11bR,12S,12aR)-7,9-bis(acetyloxy)-2-(3-furanyl)-3,3a,6,6a,6b,7,8,9,9a,10,11a,11b,12,12a-tetradecahydro-1,6b,9a,12a-tetramethyl-5-oxo-2H,5H-cyclopent(a)isobenzofuro(7,1-gh)(3)benzoxepin-12-yl ester, (2E)-

Registry Numbers

CAS Registry Number

  • 71902-49-3

System Generated Number

  • 0071902493

Structure Descriptors

InChI

1S/C35H44O10/c1-9-17(2)32(39)45-31-29-30-33(6,16-41-29)25(42-19(4)36)14-26(43-20(5)37)34(30,7)24-13-27(38)44-23-12-22(21-10-11-40-15-21)18(3)28(23)35(24,31)8/h9-11,15,22-26,29-31H,12-14,16H2,1-8H3/b17-9+/t22?,23-,24+,25+,26-,29+,30-,31+,33+,34-,35+/m0/s1

InChIKey

CSXRQWINVNDPIA-RMFXMXFGSA-N

Smiles

C(\C(O[C@H]1[C@@]2(C3=C(C)[C@H](C[C@@H]3OC(C[C@@H]2[C@@]2([C@H](C[C@H]([C@@]3(C)CO[C@H]1[C@H]23)OC(C)=O)OC(C)=O)C)=O)[c@@]1ccoc1)C)=O)(=C\C)C