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Cyclopenta[a]cyclopropa[g]naphthalen-4(1H)-one, dodecahydro-8-hydroxy-3a,5a,7a-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,6a.alpha.,7a.alpha.,8.beta.,8a.beta. ,8b.alpha.)]-
SpectraBase Compound ID 9VUNKqah89i
InChI InChI=1S/C20H32O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-13,15-17,22H,6-10H2,1-5H3/t12-,13+,15+,16-,17-,18+,19+,20+/m1/s1
InChIKey ILFMQXQRJLIDJX-WQHJNCCKSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxEN0xsjvQH
Name Cyclopenta[a]cyclopropa[g]naphthalen-4(1H)-one, dodecahydro-8-hydroxy-3a,5a,7a-trimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,3a.beta.,5a.alpha.,6a.alpha.,7a.alpha.,8.beta.,8a.beta. ,8b.alpha.)]-
CAS Registry Number 67067-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-11(2)13-6-7-19(4)14(21)10-18(3)8-12-9-20(12,5)17(22)16(18)15(13)19/h11-13,15-17,22H,6-10H2,1-5H3/t12-,13+,15+,16-,17-,18+,19+,20+/m1/s1
InChIKey ILFMQXQRJLIDJX-WQHJNCCKSA-N
Molecular Weight 304.474 g/mol
SMILES O[C@@]1([C@@]2([C@@](CC([C@]3([C@]2([C@@](CC3)(C(C)C)[H])[H])C)=O)(C)C[C@]2([C@@]1(C2)C)[H])[H])[H]
SPLASH splash10-067l-8910000000-5017608496b346184af4
Source of Spectrum KC-1979-2715-0
Synonyms (-)-2.beta.-hydroxy-9-oxoverrucosane (1S,3aR,5aS,6aR,7aS,8R,8aS,8bS)-8-hydroxy-1-isopropyl-3a,5a,7a-trimethyldodecahydrocyclopenta[a]cyclopropa[g]naphthalen-4(1H)-one 2-Hydroxy-9-oxoverrucosane
Wiley ID 1306857