7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-α,1-dihydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (αR,1S,4S,4aR,5S,7S,7aR,8R,10S,11aS,12aS)-

CAS Registry Number®

133585-56-5
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CAS Name

7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-α,1-dihydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (αR,1S,4S,4aR,5S,7S,7aR,8R,10S,11aS,12aS)-

Molecular Formula

C31H40O12

Molecular Mass

604.64

Cite this Page

7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid, 5,10-bis(acetyloxy)-4-(3-furanyl)dodecahydro-α,1-dihydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (αR,1S,4S,4aR,5S,7S,7aR,8R,10S,11aS,12aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133585-56-5 (retrieved 2024-09-20) (CAS RN: 133585-56-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H40O12/c1-14-18-11-21(41-16(3)33)30(7)25(17-9-10-39-13-17)42-27(37)24(35)31(14,30)43-20-12-19(40-15(2)32)28(4,5)23(29(18,20)6)22(34)26(36)38-8/h9-10,13,18-25,34-35H,1,11-12H2,2-8H3/t18-,19+,20+,21+,22-,23-,24-,25+,29+,30-,31-/m1/s1

InChIKey

InChIKey=NKHYHRMLCJNKHW-VAIVTRALSA-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@]4([C@H](C(OC)=O)O)[H])[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(C(O)C(=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-α,1-dihydroxy-4a,7a,9,9-tetramethyl-13-methylene-2-oxo-, methyl ester, (αR,1S,4S,4aR,5S,7S,7aR,8R,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-6,15-dihydroxy-4,4-dimethyl-16-oxo-, methyl ester, (1α,3β,5β,6R,12α,13α,14β,15β,17aα)-
  • 7,12a-Methano-4H,12aH-pyrano[4,3-b][1]benzoxocin, D-homo-24-nor-17-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid deriv.
  • 6-Hydroxysandoricin
  • NSC 622492