(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

CAS Registry Number®

36127-40-9

CAS Name

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine

Molecular Formula

C28H48N2

Molecular Mass

412.69

Cite this Page

(αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36127-40-9 (retrieved 2024-11-08) (CAS RN: 36127-40-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H48N2/c1-19(29(6)7)22-15-17-28(5)24-12-11-23-20(18-21(24)14-16-27(22,28)4)10-13-25(30(8)9)26(23,2)3/h14,18-19,22-25H,10-13,15-17H2,1-9H3/t19-,22+,23+,24+,25-,27+,28-/m0/s1

InChIKey

InChIKey=ZUILVKYUNYJWMV-JTRBZCFYSA-N

SMILES

C[C@]12[C@@](C)([C@@]([C@@H](N(C)C)C)(CC1)[H])CC=C3[C@]2(CC[C@@]4(C(=C3)CC[C@H](N(C)C)C4(C)C)[H])[H]

Canonical SMILES

C=1C2=CCC3(C)C(CCC3(C)C2CCC4C1CCC(N(C)C)C4(C)C)C(N(C)C)C

Other Names for this Substance

  • Benzo[4,5]cyclohept[1,2-e]indene-3-methanamine, 9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethyl-, (αS,3S,3aR,9S,10aR,12aR,12bS)-
  • B(9a)-Homo-19-norpregna-9(11),9a-diene-3,20-diamine, N,N,N′,N′,4,4,14-heptamethyl-, (3β,5α,20S)-
  • (αS,3S,3aR,9S,10aR,12aR,12bS)-9-(Dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethylbenzo[4,5]cyclohept[1,2-e]indene-3-methanamine
  • Buxamine A
  • Benzo[4,5]cyclohept[1,2-e]indene-3-methanamine, 9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-N,N,α,3a,10,10,12b-heptamethyl-, [3S-[3α(R*),3aα,9α,10aβ,12aα,12bβ]]-

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