(3S,4aS,6R,8S,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-Dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecene-3,8-diol

CAS Registry Number®

357436-25-0

CAS Name

(3S,4aS,6R,8S,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-Dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecene-3,8-diol

Molecular Formula

C20H32O2

Molecular Mass

304.47

Cite this Page

(3S,4aS,6R,8S,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-Dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecene-3,8-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=357436-25-0 (retrieved 2024-12-04) (CAS RN: 357436-25-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-147 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3/t14-,16-,17+,18+,20-/m1/s1

InChIKey

InChIKey=VTDWDDILICLAEK-RDGCENLJSA-N

SMILES

C[C@@]12[C@](C[C@]3(C(C)(C)C(CC1)=C(C)[C@@H](O)C3)[H])(C(=C)[C@@H](O)CC2)[H]

Canonical SMILES

OC1C(=C)C2CC3CC(O)C(=C(CCC2(C)CC1)C3(C)C)C

Other Names for this Substance

  • 6,10-Methanobenzocyclodecene-3,8-diol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-, (3S,4aS,6R,8S,12aR)-
  • (3S,4aS,6R,8S,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-Dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecene-3,8-diol
  • Taxa-4(20),11(12)-dien-5α,13α-diol

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