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Naphtho[1,2-c]furan-1,5,9b(1H)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, 5-acetate, [1R-(1.alpha.,5.beta.,5a.alpha.,9a.bet a.,9b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

Naphtho[1,2-c]furan-1,5,9b(1H)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, 5-acetate, [1R-(1.alpha.,5.beta.,5a.alpha.,9a.bet a.,9b.alpha.)]-
SpectraBase Compound ID FhnxGcP3ySO
InChI InChI=1S/C17H26O5/c1-10(18)22-12-8-11-9-21-14(19)17(11,20)16(4)7-5-6-15(2,3)13(12)16/h8,12-14,19-20H,5-7,9H2,1-4H3/t12-,13+,14-,16+,17+/m1/s1
InChIKey NBXIGURJUDYXOB-VUBIOHBQSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMgykLfDJDo
Name Naphtho[1,2-c]furan-1,5,9b(1H)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, 5-acetate, [1R-(1.alpha.,5.beta.,5a.alpha.,9a.bet a.,9b.alpha.)]-
CAS Registry Number 127759-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-10(18)22-12-8-11-9-21-14(19)17(11,20)16(4)7-5-6-15(2,3)13(12)16/h8,12-14,19-20H,5-7,9H2,1-4H3/t12-,13+,14-,16+,17+/m1/s1
InChIKey NBXIGURJUDYXOB-VUBIOHBQSA-N
Molecular Weight 310.390 g/mol
SMILES O[C@@]1(OCC=2[C@]1([C@@]1([C@@]([C@@](C2)(OC(=O)C)[H])(C(CCC1)(C)C)[H])C)O)[H]
SPLASH splash10-0adi-3900000000-c06ae549ebaabda2cb8e
Source of Spectrum F-45-7383-5
Synonyms (1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl acetate 6-O-acetylpereniporin Acetic acid[(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-5-yl]ester Acetic acid[(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benz[e]isobenzofuran-5-yl]ester [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-5-yl]acetate [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl]acetate [(1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-1,9b-bis(oxidanyl)-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl]ethanoate Acetic acid [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-5-yl] ester [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] acetate [(1R,5R,5aS,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e]isobenzofuran-5-yl] acetate [(1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-1,9b-bis(oxidanyl)-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] ethanoate
Wiley ID 1311512