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[3R-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-3-([tris(methylthio)methyl]-2H-cyclobuta[j]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

[3R-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-3-([tris(methylthio)methyl]-2H-cyclobuta[j]phenanthren-3-ol
SpectraBase Compound ID 7k14hPRzbqT
InChI InChI=1S/C23H38OS3/c1-15-7-11-20(2,3)16-8-12-21-13-10-18(21)22(24,14-9-17(21)19(15)16)23(25-4,26-5)27-6/h10,13,15-19,24H,7-9,11-12,14H2,1-6H3/t15?,16-,17-,18+,19+,21-,22-/m0/s1
InChIKey OWDRYYZRTGOGKC-HZSGQOCVSA-N
Mol Weight 426.7 g/mol
Molecular Formula C23H38OS3
Exact Mass 426.208479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArdciuHkLU
Name [3R-(3.beta.,3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-3-([tris(methylthio)methyl]-2H-cyclobuta[j]phenanthren-3-ol
CAS Registry Number 138750-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38OS3
InChI InChI=1S/C23H38OS3/c1-15-7-11-20(2,3)16-8-12-21-13-10-18(21)22(24,14-9-17(21)19(15)16)23(25-4,26-5)27-6/h10,13,15-19,24H,7-9,11-12,14H2,1-6H3/t15?,16-,17-,18+,19+,21-,22-/m0/s1
InChIKey OWDRYYZRTGOGKC-HZSGQOCVSA-N
Molecular Weight 426.736 g/mol
SMILES O[C@@]1([C@]2([C@]3([C@]([C@@]4(C(CCC([C@]4(CC3)[H])(C)C)C)[H])(CC1)[H])C=C2)[H])C(SC)(SC)SC
SPLASH splash10-0f6x-9300000000-4e3219474371e8e23609
Source of Spectrum J-57-6867-10
Synonyms (3S,3aR,5aS,7aS,11aR,11bS)-8,8,11-trimethyl-3-[tris(methylsulfanyl)methyl]-1,3,3a,6,7,7a,8,9,10,11,11a,11b-dodecahydro-2H-cyclobuta[j]phenanthren-3-ol
Wiley ID 1379924