(2S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-2,7-phenanthrenediol

CAS Registry Number®

3772-56-3
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CAS Name

(2S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-2,7-phenanthrenediol

Molecular Formula

C20H30O2

Molecular Mass

302.45

Cite this Page

(2S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-2,7-phenanthrenediol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3772-56-3 (retrieved 2024-05-05) (CAS RN: 3772-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180.5-181.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O2/c1-12(2)18-13-6-9-16-19(3,4)17(22)10-11-20(16,5)14(13)7-8-15(18)21/h7-8,12,16-17,21-22H,6,9-11H2,1-5H3/t16-,17-,20+/m0/s1

InChIKey

InChIKey=NORGIWDZGWMMGU-ABSDTBQOSA-N

SMILES

C[C@@]12C=3C(=C(C(C)C)C(O)=CC3)CC[C@]1(C(C)(C)[C@@H](O)CC2)[H]

Canonical SMILES

OC1=CC=C2C(=C1C(C)C)CCC3C2(C)CCC(O)C3(C)C

Other Names for this Substance

  • 2,7-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-, (2S,4aS,10aR)-
  • Podocarpa-8,11,13-triene-3β,13-diol, 14-isopropyl-
  • 2,7-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-, [2S-(2α,4aα,10aβ)]-
  • (2S,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,1,4a-trimethyl-8-(1-methylethyl)-2,7-phenanthrenediol
  • Totaradiol

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