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(6R,6aR,10aR)-3-(7-bromo-1,1-dimethyl-heptyl)-6-[3-(tert-butyl-dimethyl-silanyloxy)-prop-1-ynyl]-9,9-dimethoxy-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol

View entire compound with spectra: 1 MS (GC)

(6R,6aR,10aR)-3-(7-bromo-1,1-dimethyl-heptyl)-6-[3-(tert-butyl-dimethyl-silanyloxy)-prop-1-ynyl]-9,9-dimethoxy-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol
SpectraBase Compound ID 5FJTSI8rqPA
InChI InChI=1S/C34H55BrO5Si/c1-31(2,3)41(9,10)39-21-15-18-33(6)27-16-19-34(37-7,38-8)24-26(27)30-28(36)22-25(23-29(30)40-33)32(4,5)17-13-11-12-14-20-35/h22-23,26-27,36H,11-14,16-17,19-21,24H2,1-10H3/t26-,27-,33+/m1/s1
InChIKey LZBGJBGXIVYVHM-SJQIOTTESA-N
Mol Weight 651.8 g/mol
Molecular Formula C34H55BrO5Si
Exact Mass 650.300214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HeOfDSZoNUZ
Name (6R,6aR,10aR)-3-(7-bromo-1,1-dimethyl-heptyl)-6-[3-(tert-butyl-dimethyl-silanyloxy)-prop-1-ynyl]-9,9-dimethoxy-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H55BrO5Si
InChI InChI=1S/C34H55BrO5Si/c1-31(2,3)41(9,10)39-21-15-18-33(6)27-16-19-34(37-7,38-8)24-26(27)30-28(36)22-25(23-29(30)40-33)32(4,5)17-13-11-12-14-20-35/h22-23,26-27,36H,11-14,16-17,19-21,24H2,1-10H3/t26-,27-,33+/m1/s1
InChIKey LZBGJBGXIVYVHM-SJQIOTTESA-N
Molecular Weight 651.798 g/mol
SMILES Oc1c2[C@]3([C@@](CCC(C3)(OC)OC)([C@@](Oc2cc(c1)C(CCCCCCBr)(C)C)(C#CCO[Si](C(C)(C)C)(C)C)C)[H])[H]
SPLASH splash10-00di-9303423000-7956950e7bea1bafd0d9
Source of Spectrum F-68-61-13
Synonyms (6R,6aR,10aR)-3-(7-bromo-1,1-dimethylheptyl)-6-(3-{[tert-butyl(dimethyl)silyl]oxy}-1-propynyl)-9,9-dimethoxy-6-methyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol 3-(8-Bromo-2-methyloct-2-yl)-9,9-dimethoxy-6-methyl-6-(3-tert-butyldimethyloxypropynyl)-6,6a,7,8,9,10-hexahydrodibenzo[b,d]pyran-1-ol (6R,6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-9,9-dimethoxy-6-methyl-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-1-ol (6R,6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-9,9-dimethoxy-6-methyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol (6R,6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6-[3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-9,9-dimethoxy-6-methyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
Wiley ID 1571558