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2-[2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-(hydroxymethyl)-4,5,6,7-tetrakis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one

View entire compound with spectra: 1 MS (GC)

2-[2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-(hydroxymethyl)-4,5,6,7-tetrakis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
SpectraBase Compound ID 1mqUpk6P5Wo
InChI InChI=1S/C27H48O7/c1-15(2)6-5-7-16(3)18-8-9-19(26(18,4)10-11-28)17-12-20(30)22-24(33)23(32)21(31)13-27(22,14-29)25(17)34/h15-24,28-33H,5-14H2,1-4H3/t16-,17+,18?,19?,20-,21-,22+,23+,24+,26?,27-/m1/s1
InChIKey SZISKKHIWHABQC-KPCHXZIBSA-N
Mol Weight 484.7 g/mol
Molecular Formula C27H48O7
Exact Mass 484.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41i4S5zq1GY
Name 2-[2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-(hydroxymethyl)-4,5,6,7-tetrakis(oxidanyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O7
InChI InChI=1S/C27H48O7/c1-15(2)6-5-7-16(3)18-8-9-19(26(18,4)10-11-28)17-12-20(30)22-24(33)23(32)21(31)13-27(22,14-29)25(17)34/h15-24,28-33H,5-14H2,1-4H3/t16-,17+,18?,19?,20-,21-,22+,23+,24+,26?,27-/m1/s1
InChIKey SZISKKHIWHABQC-KPCHXZIBSA-N
Molecular Weight 484.674 g/mol
SMILES O[C@]1([C@]2([C@](CO)(C[C@]([C@@]1(O)[H])(O)[H])C([C@@](C[C@]2(O)[H])(C1C(C([C@@](CCCC(C)C)(C)[H])CC1)(CCO)C)[H])=O)[H])[H]
SPLASH splash10-00kr-0002900000-3b5a74d48cef00f9e816
Source of Spectrum F-50-3824-2
Synonyms 2-[3-[(1R)-1,5-dimethylhexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4,5,6,7-tetrahydroxy-8a-(hydroxymethyl)decalin-1-one 2-[3-[(1R)-1,5-dimethylhexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4,5,6,7-tetrahydroxy-8a-methylol-decalin-1-one 4,5,6,7-tetrahydroxy-2-[2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methylheptan-2-yl]cyclopentyl]-8a-(hydroxymethyl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
Wiley ID 1396035