Aphidicolin

CAS Registry Number®

38966-21-1

CAS Name

Aphidicolin

Molecular Formula

C20H34O4

Molecular Mass

338.48

Cite this Page

Aphidicolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38966-21-1 (retrieved 2024-11-22) (CAS RN: 38966-21-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-233 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1

InChIKey

InChIKey=NOFOAYPPHIUXJR-APNQCZIXSA-N

SMILES

C[C@@]12[C@]34[C@](C[C@](C3)([C@](CO)(O)CC4)[H])(CC[C@]1([C@@](CO)(C)[C@H](O)CC2)[H])[H]

Canonical SMILES

OCC1(O)CCC23CC1CC3CCC4C(C)(CO)C(O)CCC42C

Other Names for this Substance

  • 8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-
  • 9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3α,4α,5α,17α)-
  • (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-Tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-8,11a-methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol
  • 8,11a-Methano-11aH-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, [3R-(3α,4α,4aα,6aβ,8β,9β,11aβ,11bβ)]-
  • Aphidicolin

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Deleted or Replaced CAS Registry Numbers

53334-90-0

CAS INSIGHTSTM
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