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Naphtho[2,1-b]furan, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,6,9a-trimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID DRWKA3LwAil
InChI InChI=1S/C24H34O3S/c1-22(2)11-7-12-23(3)18(22)10-13-24(21-25-14-15-26-21)19(23)16-20(27-24)28-17-8-5-4-6-9-17/h4-6,8-9,18-21H,7,10-16H2,1-3H3/t18-,19+,20-,23-,24+/m0/s1
InChIKey ZFFJMEBPYMADKZ-RBBNJCGNSA-N
Mol Weight 402.6 g/mol
Molecular Formula C24H34O3S
Exact Mass 402.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRbC60vtqBk
Name Naphtho[2,1-b]furan, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,6,9a-trimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,9a.beta.,9b.alpha.)]-
CAS Registry Number 118245-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O3S
InChI InChI=1S/C24H34O3S/c1-22(2)11-7-12-23(3)18(22)10-13-24(21-25-14-15-26-21)19(23)16-20(27-24)28-17-8-5-4-6-9-17/h4-6,8-9,18-21H,7,10-16H2,1-3H3/t18-,19+,20-,23-,24+/m0/s1
InChIKey ZFFJMEBPYMADKZ-RBBNJCGNSA-N
Molecular Weight 402.593 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@](O1)(Sc1ccccc1)[H])[H])C1OCCO1
SPLASH splash10-006x-5091000000-ea7782143cce12bd00dc
Source of Spectrum I-66-1684-24
Synonyms (1S,6S,9R,11S,13R)-9-ethylenedioxymethyl-11-phenylthio-10-oxatricyclo[7.4.0.0(9,13)]tridecane (2S,3aR,5aS,9aS,9bR)-3a-(1,3-dioxolan-2-yl)-6,6,9a-trimethyl-2-(phenylsulfanyl)dodecahydronaphtho[2,1-b]furan (2S,3aR,5aS,9aS,9bR)-3a-(1,3-dioxolan-2-yl)-6,6,9a-trimethyldodecahydronaphtho[2,1-b]furan-2-yl phenyl sulfide
Wiley ID 1370482