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(-)-(1S,3aS,3bS,6bR,8aS,9S,11aS,11bS,14bR,16aS)-1,9-Di-tert-butoxy-8a,16a-dimethyl-2,3,3a,3b,4,5,6b,8a,10,11,11a,11b,12,13,14b,16a-hexadecahydro-di-1H-indeno[4,5-a:4,5-h]anthracene

View entire compound with spectra: 1 MS (GC)

(-)-(1S,3aS,3bS,6bR,8aS,9S,11aS,11bS,14bR,16aS)-1,9-Di-tert-butoxy-8a,16a-dimethyl-2,3,3a,3b,4,5,6b,8a,10,11,11a,11b,12,13,14b,16a-hexadecahydro-di-1H-indeno[4,5-a:4,5-h]anthracene
SpectraBase Compound ID wQMUiNCpmh
InChI InChI=1S/C38H54O2/c1-35(2,3)39-33-15-13-31-27-11-9-23-22-30-24(21-29(23)25(27)17-19-37(31,33)7)10-12-28-26(30)18-20-38(8)32(28)14-16-34(38)40-36(4,5)6/h17-22,25-28,31-34H,9-16H2,1-8H3/t25-,26-,27-,28-,31+,32+,33+,34+,37+,38+/m1/s1
InChIKey STTYMDRAGMJKBD-BOWIWJBSSA-N
Mol Weight 542.8 g/mol
Molecular Formula C38H54O2
Exact Mass 542.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aj1x0z1pPMH
Name (-)-(1S,3aS,3bS,6bR,8aS,9S,11aS,11bS,14bR,16aS)-1,9-Di-tert-butoxy-8a,16a-dimethyl-2,3,3a,3b,4,5,6b,8a,10,11,11a,11b,12,13,14b,16a-hexadecahydro-di-1H-indeno[4,5-a:4,5-h]anthracene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H54O2
InChI InChI=1S/C38H54O2/c1-35(2,3)39-33-15-13-31-27-11-9-23-22-30-24(21-29(23)25(27)17-19-37(31,33)7)10-12-28-26(30)18-20-38(8)32(28)14-16-34(38)40-36(4,5)6/h17-22,25-28,31-34H,9-16H2,1-8H3/t25-,26-,27-,28-,31+,32+,33+,34+,37+,38+/m1/s1
InChIKey STTYMDRAGMJKBD-BOWIWJBSSA-N
Molecular Weight 542.848 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@@]3(C=C2)[H])cc2c([C@]3([C@@]([C@@]5(CC[C@@]([C@]5(C=C3)C)(OC(C)(C)C)[H])[H])([H])CC2)[H])c4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-000l-1000940000-0883eacc867fd6652a6f
Source of Spectrum QE-8-2122-20
Wiley ID 1557595