(17β)-17-[(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]estr-4-en-3-one

CAS Registry Number®

1491-81-2

CAS Name

(17β)-17-[(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]estr-4-en-3-one

Molecular Formula

C29H40O3

Molecular Mass

436.63

Cite this Page

(17β)-17-[(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]estr-4-en-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1491-81-2 (retrieved 2024-11-24) (CAS RN: 1491-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    204-206 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H40O3/c1-28-9-8-23-22-5-3-21(30)13-20(22)2-4-24(23)25(28)6-7-26(28)32-27(31)29-14-17-10-18(15-29)12-19(11-17)16-29/h13,17-19,22-26H,2-12,14-16H2,1H3/t17?,18?,19?,22-,23+,24+,25-,26-,28-,29?/m0/s1

InChIKey

InChIKey=NCXAMLZZPQRJGY-PVAKYVEVSA-N

SMILES

C(O[C@@H]1[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])[H])(=O)C56CC7(CC(C5)(CC(C6)(C7)[H])[H])[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(OC(=O)C56CC7CC(CC(C7)C5)C6)CCC34)C2CC1

Other Names for this Substance

  • Estr-4-en-3-one, 17-[(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]-, (17β)-
  • Estr-4-en-3-one, 17β-hydroxy-, 1-adamantanecarboxylate
  • (17β)-17-[(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)oxy]estr-4-en-3-one
  • Bolmantalate
  • 17β-Hydroxyestr-4-en-3-one 1-adamantanecarboxylate

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