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1H-Naphtho[2,1-b]pyran-7-methanol, dodecahydro-7,10a-dimethyl-, 4-methylbenzenesulfonate, [4aR-(4a.alpha.,6a.beta.,7.beta.,10a.alpha.,10b.beta.)]-
SpectraBase Compound ID 36LkMIEsJBw
InChI InChI=1S/C23H34O4S/c1-17-7-9-18(10-8-17)28(24,25)27-16-22(2)13-5-14-23(3)19-6-4-15-26-20(19)11-12-21(22)23/h7-10,19-21H,4-6,11-16H2,1-3H3/t19-,20+,21-,22-,23+/m0/s1
InChIKey QAFDTDCKSMSHCE-MFKCLSPESA-N
Mol Weight 406.6 g/mol
Molecular Formula C23H34O4S
Exact Mass 406.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pX6AWvVUDL
Name 1H-Naphtho[2,1-b]pyran-7-methanol, dodecahydro-7,10a-dimethyl-, 4-methylbenzenesulfonate, [4aR-(4a.alpha.,6a.beta.,7.beta.,10a.alpha.,10b.beta.)]-
CAS Registry Number 104915-37-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O4S
InChI InChI=1S/C23H34O4S/c1-17-7-9-18(10-8-17)28(24,25)27-16-22(2)13-5-14-23(3)19-6-4-15-26-20(19)11-12-21(22)23/h7-10,19-21H,4-6,11-16H2,1-3H3/t19-,20+,21-,22-,23+/m0/s1
InChIKey QAFDTDCKSMSHCE-MFKCLSPESA-N
Molecular Weight 406.581 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@]1([C@]2([C@]([C@]3(CCCO[C@@]3(CC2)[H])[H])(C)CCC1)[H])C
SPLASH splash10-0596-9030000000-010ff9f9a4dd46ca6cf2
Source of Spectrum AH-116-1357-18
Synonyms Methyl 7,10a-dimethyl-dodecahydro-1H-naphtho[2,1-b]pyran-7-yl-p-toluensulphonate [(4aR,6aR,7R,10aS,10bR)-7,10a-dimethyldodecahydro-1H-benzo[f]chromen-7-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1372198