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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID Dixkb1m6nz1
InChI InChI=1S/C34H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(35-23-26-12-7-6-8-13-26)18-20-33(27,4)32(29)19-21-34(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey WOOIMKQUXAEKBL-HTPUTFLASA-N
Mol Weight 476.8 g/mol
Molecular Formula C34H52O
Exact Mass 476.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e1OQ2wRk1
Name (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-phenylmethoxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Registry Number 7278-60-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52O
InChI InChI=1S/C34H52O/c1-24(2)10-9-11-25(3)30-16-17-31-29-15-14-27-22-28(35-23-26-12-7-6-8-13-26)18-20-33(27,4)32(29)19-21-34(30,31)5/h6-8,12-14,24-25,28-32H,9-11,15-23H2,1-5H3/t25-,28+,29+,30-,31+,32+,33+,34-/m1/s1
InChIKey WOOIMKQUXAEKBL-HTPUTFLASA-N
Molecular Weight 476.789 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OCc2ccccc2)(C4)[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-00dl-8009000000-be67bb1285873dcd3bf5
Source of Spectrum I-65-2210-3
Synonyms (3S,8S,9S,10R,13R,14S,17R)-3-benzoxy-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (3S,8S,9S,10R,13R,14S,17R)-3-benzyloxy-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Wiley ID 1394469