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4aH-Naphth[2,1-c]oxireno[b]oxepin-3(2H)-one, decahydro-8-(hydroxymethyl)-8,11a-dimethyl-, [4aS-(4a.alpha.,5aS*,7a.beta.,8.bet a.,11a.alpha.,11b.beta.)]-
SpectraBase Compound ID 7hhDiWSCkWv
InChI InChI=1S/C17H26O4/c1-15(10-18)7-3-8-17-11(15)6-9-16(2)12(17)4-5-13(19)20-14(17)21-16/h11-12,14,18H,3-10H2,1-2H3/t11-,12-,14+,15?,16+,17+/m0/s1
InChIKey PHLZQHYVNVMTAD-DEVFZQOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jar221Zo50l
Name 4aH-Naphth[2,1-c]oxireno[b]oxepin-3(2H)-one, decahydro-8-(hydroxymethyl)-8,11a-dimethyl-, [4aS-(4a.alpha.,5aS*,7a.beta.,8.bet a.,11a.alpha.,11b.beta.)]-
CAS Registry Number 122745-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-15(10-18)7-3-8-17-11(15)6-9-16(2)12(17)4-5-13(19)20-14(17)21-16/h11-12,14,18H,3-10H2,1-2H3/t11-,12-,14+,15?,16+,17+/m0/s1
InChIKey PHLZQHYVNVMTAD-DEVFZQOYSA-N
Molecular Weight 294.391 g/mol
SMILES OCC1([C@]2([C@]3([C@]4(O[C@@](CC2)(C)[C@@]3(CCC(O4)=O)[H])[H])CCC1)[H])C
SPLASH splash10-0006-6090000000-17e198ac45af43465b5f
Source of Spectrum J-54-5125-5
Synonyms (-)-8.alpha.,17-Epoxy-18-hydroxy-14,15,16-trinorlabdan-13,17-olide (1R,2R,7S,10R)-6-(hydroxymethyl)-6,10-dimethyl-11,13-dioxatetracyclo[8.6.0.0(2,7).0(2,12)]hexadecan-14-one
Wiley ID 1297292