(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one

CAS Registry Number®

159383-94-5
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CAS Name

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one

Molecular Formula

C37H68O9Si3

Molecular Mass

741.19

Cite this Page

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=159383-94-5 (retrieved 2024-05-03) (CAS RN: 159383-94-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    73-74 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H68O9Si3/c1-15-48(16-2,17-3)45-27-21-28-36(23-42-28,43-25(8)38)31-33(40)37(41)22-26(44-47(12,13)14)24(7)29(34(37,9)10)30(32(39)35(27,31)11)46-49(18-4,19-5)20-6/h26-28,30-31,33,40-41H,15-23H2,1-14H3/t26-,27-,28+,30+,31-,33-,35+,36-,37+/m0/s1

InChIKey

InChIKey=OPJUXNZWUHWYAM-YFTSZZTPSA-N

SMILES

O(C(C)=O)[C@]12[C@@]3([C@@](C)([C@@H](O[Si](CC)(CC)CC)C[C@]1(OC2)[H])C(=O)[C@H](O[Si](CC)(CC)CC)C=4C(C)(C)[C@](O)([C@H]3O)C[C@H](O[Si](C)(C)C)C4C)[H]

Canonical SMILES

O=C(OC12COC2CC(O[Si](CC)(CC)CC)C3(C(=O)C(O[Si](CC)(CC)CC)C4=C(C)C(O[Si](C)(C)C)CC(O)(C(O)C13)C4(C)C)C)C

Other Names for this Substance

  • 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
  • 7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-, [2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-11,12-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-9-[(trimethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one

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