(3β,5α,16α,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol

CAS Registry Number®

2241-90-9
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CAS Name

(3β,5α,16α,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol

Molecular Formula

C25H42N2O

Molecular Mass

386.61

Cite this Page

(3β,5α,16α,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2241-90-9 (retrieved 2024-04-29) (CAS RN: 2241-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    231-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H42N2O/c1-15-17-7-8-20-23(4)13-19(28)21(16(2)26-5)22(23,3)11-12-25(20)14-24(17,25)10-9-18(15)27-6/h16-21,26-28H,1,7-14H2,2-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-/m0/s1

InChIKey

InChIKey=BSNZFQANPMIOIU-WZBMPAQFSA-N

SMILES

C[C@]12[C@]3([C@]4([C@]5(C4)[C@@](CC3)(C(=C)[C@@H](NC)CC5)[H])CC[C@]1(C)[C@@]([C@@H](NC)C)([C@H](O)C2)[H])[H]

Canonical SMILES

OC1CC2(C)C3CCC4C(=C)C(NC)CCC54CC35CCC2(C)C1C(NC)C

Other Names for this Substance

  • 9,19-Cyclopregnan-16-ol, 14-methyl-3,20-bis(methylamino)-4-methylene-, (3β,5α,16α,20S)-
  • 9,19-Cyclo-5α,9β-pregnan-16α-ol, 14-methyl-3β,20α-bis(methylamino)-4-methylene-
  • 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclopregnan-16-ol deriv.
  • (3β,5α,16α,20S)-14-Methyl-3,20-bis(methylamino)-4-methylene-9,19-cyclopregnan-16-ol
  • Cyclobuxine D

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Deleted or Replaced CAS Registry Numbers

29784-83-6

CAS INSIGHTSTM
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