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(3R)-4-Hydroxy-3-[(1R,5S,7aR)-5-hydroxy-7a-methyl-4-(phenylsulfonyl)-2,3,5,6,7,7a-hexahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane

View entire compound with spectra: 1 MS (GC)

(3R)-4-Hydroxy-3-[(1R,5S,7aR)-5-hydroxy-7a-methyl-4-(phenylsulfonyl)-2,3,5,6,7,7a-hexahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane
SpectraBase Compound ID ATVvAvPfMGd
InChI InChI=1S/C27H40O4S/c1-25(2)23(30-26(3,4)31-25)14-11-18(17-28)20-12-13-21-24(22(29)15-16-27(20,21)5)32-19-9-7-6-8-10-19/h6-10,18,20,22-23,28-29H,11-17H2,1-5H3/t18-,20+,22-,23-,27+/m0/s1
InChIKey MBEAJHBVOZIKNA-DPEBUWETSA-N
Mol Weight 460.7 g/mol
Molecular Formula C27H40O4S
Exact Mass 460.264731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7Jj6UYPJCT
Name (3R)-4-Hydroxy-3-[(1R,5S,7aR)-5-hydroxy-7a-methyl-4-(phenylsulfonyl)-2,3,5,6,7,7a-hexahydro-1H-indol-1-yl]-1-[(4S)-2,2,5,5-tetramethyl-1,3-dioxaolan-4-yl]butane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O4S
InChI InChI=1S/C27H40O4S/c1-25(2)23(30-26(3,4)31-25)14-11-18(17-28)20-12-13-21-24(22(29)15-16-27(20,21)5)32-19-9-7-6-8-10-19/h6-10,18,20,22-23,28-29H,11-17H2,1-5H3/t18-,20+,22-,23-,27+/m0/s1
InChIKey MBEAJHBVOZIKNA-DPEBUWETSA-N
Molecular Weight 460.673 g/mol
SMILES OC[C@@]([C@@]1([C@@]2(C(=C([C@](CC2)(O)[H])Sc2ccccc2)CC1)C)[H])(CC[C@@]1(OC(C)(C)OC1(C)C)[H])[H]
SPLASH splash10-03di-2002900000-1853ae7c3c54550e8a8b
Source of Spectrum K1-2004-794-32
Synonyms (1R,5S,7aR)-1-{(1R)-1-(hydroxymethyl)-3-[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]propyl}-7a-methyl-4-(phenylsulfanyl)-2,3,5,6,7,7a-hexahydro-1H-inden-5-ol
Wiley ID 1560446