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(6aR,10aR)-3-(2-Hexyl-1,3-dithiolan-2-yl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
SpectraBase Compound ID JpDR8zcI8g8
InChI InChI=1S/C24H34O3S2/c1-4-5-6-7-10-24(28-11-12-29-24)16-13-20(26)22-18-15-17(25)8-9-19(18)23(2,3)27-21(22)14-16/h13-14,18-19,26H,4-12,15H2,1-3H3/t18-,19-/m1/s1
InChIKey OUPICNWXPVNWII-RTBURBONSA-N
Mol Weight 434.7 g/mol
Molecular Formula C24H34O3S2
Exact Mass 434.194937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlKcfYSRxnq
Name (6aR,10aR)-3-(2-Hexyl-1,3-dithiolan-2-yl)-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
Appearance White foam
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Formula C24H34O3S2
InChI InChI=1S/C24H34O3S2/c1-4-5-6-7-10-24(28-11-12-29-24)16-13-20(26)22-18-15-17(25)8-9-19(18)23(2,3)27-21(22)14-16/h13-14,18-19,26H,4-12,15H2,1-3H3/t18-,19-/m1/s1
InChIKey OUPICNWXPVNWII-RTBURBONSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100641g
Molecular Weight 434.653 g/mol
SMILES Oc1c2[C@@]3(CC(CC[C@]3(C(Oc2cc(c1)C1(CCCCCC)SCCS1)(C)C)[H])=O)[H]
SPLASH splash10-0udr-0922000000-d2c83a4d430bd65a3107
Source of Spectrum AF-53-7003-6c
Wiley ID 1846302