Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

CAS Registry Number®

133585-55-4
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CAS Name

Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate

Molecular Formula

C31H40O11

Molecular Mass

588.64

Cite this Page

Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133585-55-4 (retrieved 2024-09-20) (CAS RN: 133585-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19-,20-,21-,22-,23-,25+,26-,29+,30-,31+/m0/s1

InChIKey

InChIKey=FPZCLGWPFTXULY-AAZWCSCHSA-N

SMILES

C[C@]12[C@@]3(C(=C)[C@](C[C@@H]1OC(C)=O)([C@@]4(C)[C@@](O3)(C[C@H](OC(C)=O)C(C)(C)[C@@H]4CC(OC)=O)[H])[H])[C@H](O)C(=O)O[C@H]2C=5C=COC5

Canonical SMILES

O=C(OC1CC2OC34C(=C)C(CC(OC(=O)C)C4(C)C(OC(=O)C3O)C5=COC=C5)C2(C)C(CC(=O)OC)C1(C)C)C

Other Names for this Substance

  • 7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-
  • D-Homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 3,12-bis(acetyloxy)-1,14:21,23-diepoxy-15-hydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1α,3β,5β,12α,13α,14β,15β,17aα)-
  • Methyl (1S,4S,4aS,5S,7R,7aS,8S,10S,11aS,12aS)-5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-1-hydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-7,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetate
  • Sandoricin