Simiarenol

CAS Registry Number®

1615-94-7
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CAS Name

Simiarenol

Molecular Formula

C30H50O

Molecular Mass

426.72

Cite this Page

Simiarenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1615-94-7 (retrieved 2024-04-27) (CAS RN: 1615-94-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    209-210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H50O/c1-19(2)20-9-12-23-27(20,5)15-17-30(8)24-13-10-21-22(11-14-25(31)26(21,3)4)28(24,6)16-18-29(23,30)7/h10,19-20,22-25,31H,9,11-18H2,1-8H3/t20-,22-,23-,24+,25+,27-,28+,29+,30-/m1/s1

InChIKey

InChIKey=XVXPXUMUGATHPD-JMJRLLIOSA-N

SMILES

C[C@@]12[C@@]3([C@](C)([C@]4(C(=CC3)C(C)(C)[C@@H](O)CC4)[H])CC[C@@]1(C)[C@]5([C@](C)(CC2)[C@@H]([C@@H](C)C)CC5)[H])[H]

Canonical SMILES

OC1CCC2C(=CCC3C2(C)CCC4(C)C5CCC(C(C)C)C5(C)CCC34C)C1(C)C

Other Names for this Substance

  • A′-Neo-25,26,28-trinorgammacer-5-en-3-ol, 9,13,17-trimethyl-, (3β,8β,9α,10α,13β,14α,17α,18β)-
  • Simiarenol
  • D:B-Friedo-B′:A′-neogammacer-5-en-3β-ol
  • D:B-Friedo-B′:A′-neogammacer-5-en-3-ol, (3β)-
  • (3β,8β,9α,10α,13β,14α,17α,18β)-9,13,17-Trimethyl-A′-neo-25,26,28-trinorgammacer-5-en-3-ol

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