6,10-Methanobenzocyclodecene-3,11-diol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3-acetate, (3S,4aS,6S,11S,12aS)-

CAS Registry Number®

337515-55-6

CAS Name

6,10-Methanobenzocyclodecene-3,11-diol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3-acetate, (3S,4aS,6S,11S,12aS)-

Molecular Formula

C22H34O3

Molecular Mass

346.50

Cite this Page

6,10-Methanobenzocyclodecene-3,11-diol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3-acetate, (3S,4aS,6S,11S,12aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=337515-55-6 (retrieved 2024-11-24) (CAS RN: 337515-55-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3/t16-,17+,18-,19-,22-/m0/s1

InChIKey

InChIKey=BMPKIAPYMZISRD-PQTWGXLHSA-N

SMILES

C[C@@]12[C@](C[C@]3(C(C)(C)C([C@@H](O)C1)=C(C)CC3)[H])(C(=C)[C@@H](OC(C)=O)CC2)[H]

Canonical SMILES

O=C(OC1C(=C)C2CC3CCC(=C(C(O)CC2(C)CC1)C3(C)C)C)C

Other Names for this Substance

  • 6,10-Methanobenzocyclodecene-3,11-diol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, 3-acetate, (3S,4aS,6S,11S,12aS)-
  • Taxa-4(20),11(12)-dien-5α-acetoxy-10β-ol
  • 5α-Acetoxytaxa-4(20),11(12)-dien-10β-ol
  • Taxadiene-5-α-acetate-10-β-ol

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