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(1S*,4R*,5R*,8S*)-1,2,3,4,5,6,7,8-Octahydro-11,12-di(spirocyclopentane)-1,4:5,8-dimethano-9-(diphenylethylenedioxy)anthracene isomer

View entire compound with spectra: 1 MS (GC)

(1S*,4R*,5R*,8S*)-1,2,3,4,5,6,7,8-Octahydro-11,12-di(spirocyclopentane)-1,4:5,8-dimethano-9-(diphenylethylenedioxy)anthracene isomer
SpectraBase Compound ID 8lhjn3PMpw9
InChI InChI=1S/C39H42O2/c1-3-11-24(12-4-1)35-36(25-13-5-2-6-14-25)41-37(40-35)34-32-26(28-15-17-30(32)38(28)19-7-8-20-38)23-27-29-16-18-31(33(27)34)39(29)21-9-10-22-39/h1-6,11-14,23,28-31,35-37H,7-10,15-22H2/t28-,29+,30-,31-,35-,36+,37?/m0/s1
InChIKey JGTOPSWLZXFOJK-FQLYRUPOSA-N
Mol Weight 542.8 g/mol
Molecular Formula C39H42O2
Exact Mass 542.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iscZFBQtTM
Name (1S*,4R*,5R*,8S*)-1,2,3,4,5,6,7,8-Octahydro-11,12-di(spirocyclopentane)-1,4:5,8-dimethano-9-(diphenylethylenedioxy)anthracene isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42O2
InChI InChI=1S/C39H42O2/c1-3-11-24(12-4-1)35-36(25-13-5-2-6-14-25)41-37(40-35)34-32-26(28-15-17-30(32)38(28)19-7-8-20-38)23-27-29-16-18-31(33(27)34)39(29)21-9-10-22-39/h1-6,11-14,23,28-31,35-37H,7-10,15-22H2/t28-,29+,30-,31-,35-,36+,37?/m0/s1
InChIKey JGTOPSWLZXFOJK-FQLYRUPOSA-N
Molecular Weight 542.763 g/mol
SMILES c1(c2c([C@@]3(C4([C@]2(CC3)[H])CCCC4)[H])cc2c1[C@]1(C3(CCCC3)[C@]2(CC1)[H])[H])C1O[C@@](c2ccccc2)([C@](O1)(c1ccccc1)[H])[H]
SPLASH splash10-002p-0347690000-6f40ccce678bcab1c80e
Source of Spectrum F-53-11286-11
Wiley ID 803279