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8,11a-Methano-11aH-cyclohepta[a]naphthalene, 9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol deriv.
SpectraBase Compound ID GGFob2GKhPZ
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 NOFOAYPPHIUXJR-ZJYMDJRVSA-N
Mol Weight 338.5 g/mol
Molecular Formula C20H34O4
Exact Mass 338.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFTisRcXe1R
Name 8,11a-Methano-11aH-cyclohepta[a]naphthalene, 9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol deriv.
CAS Registry Number 69926-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O4
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 NOFOAYPPHIUXJR-ZJYMDJRVSA-N
Molecular Weight 338.488 g/mol
SMILES OC[C@]1([C@]2([C@@](C34CC[C@](CO)(C(CC4CC2)C3)O)(CC[C@]1(O)[H])C)[H])C
SPLASH splash10-0a4i-0239000000-fb5ca012f29f0e4577d5
Source of Spectrum H-71-874-1
Synonyms 9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol, 3,17-dihydroxy-4-methyl-, (3.alpha.,4.alpha.,5.alpha.,17.alpha.)-(.+-.)- (+-)-Tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-8,11a-methano-11ah-cyclohepta[4]naphthalene-4,9-dimethanol (.+-.)-Aphidicolin (2S,5R,6R,7S,13R)-6,13-bis(hydroxymethyl)-2-methyltetracyclo[10.3.2.0(1,10).0(2,7)]heptadecane-5,13-diol
Wiley ID 1333944