(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-(phenylthio)-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-6-heptenethioic acid S-tert-butyl ester

SpectraBase Compound ID	Gnd9sec6tMc
InChI	InChI=1S/C28H40O2S2/c1-19(2)11-10-14-21(26(30)32-27(3,4)5)22-15-16-23-25(24(29)17-18-28(22,23)6)31-20-12-8-7-9-13-20/h7-9,12-13,21-22,24,29H,1,10-11,14-18H2,2-6H3/t21-,22?,24+,28-/m1/s1
InChIKey	ZVDJBFAPCHLIJJ-ZBEXEKQVSA-N Google Search
Mol Weight	472.7 g/mol
Molecular Formula	C28H40O2S2
Exact Mass	472.246973 g/mol

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SpectraBase Spectrum ID	9fJ80bop7UX
Name	(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-(phenylthio)-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-6-heptenethioic acid S-tert-butyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H40O2S2
InChI	InChI=1S/C28H40O2S2/c1-19(2)11-10-14-21(26(30)32-27(3,4)5)22-15-16-23-25(24(29)17-18-28(22,23)6)31-20-12-8-7-9-13-20/h7-9,12-13,21-22,24,29H,1,10-11,14-18H2,2-6H3/t21-,22?,24+,28-/m1/s1
InChIKey	ZVDJBFAPCHLIJJ-ZBEXEKQVSA-N
Molecular Weight	472.746 g/mol
SMILES	O[C@@]1(C(=C2[C@@](C([C@](C(SC(C)(C)C)=O)(CCCC(=C)C)[H])CC2)(CC1)C)Sc1ccccc1)[H]
SPLASH	splash10-00dj-4611900000-c4d0208864f42a1d256e
Source of Spectrum	U1-2002-2733-26
Synonyms	(2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-(phenylthio)-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enethioic acid S-tert-butyl ester S-tert-butyl (2R)-2-[(5S,7aR)-5-hydroxy-7a-methyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enethioate S-tert-butyl (2R)-2-[(5S,7aR)-7a-methyl-5-oxidanyl-4-phenylsulfanyl-1,2,3,5,6,7-hexahydroinden-1-yl]-6-methyl-hept-6-enethioate
Wiley ID	1522873