Bolandiol

CAS Registry Number®

19793-20-5

CAS Name

Bolandiol

Molecular Formula

C18H28O2

Molecular Mass

276.41

Cite this Page

Bolandiol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19793-20-5 (retrieved 2024-11-24) (CAS RN: 19793-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-172 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1

InChIKey

InChIKey=CMXKUJNZWYTFJN-XFUVECHXSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@@]4(C(CC3)=C[C@@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@H]2O)[H]

Canonical SMILES

OC1C=C2CCC3C(CCC4(C)C(O)CCC34)C2CC1

Other Names for this Substance

  • Estr-4-ene-3,17-diol, (3β,17β)-
  • Estr-4-ene-3β,17β-diol
  • (3β,17β)-Estr-4-ene-3,17-diol
  • Δ4-Estrene-3β,17β-diol
  • Bolandiol

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