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#15;4-METHYL-1-((1R-(1-ALPHA,4A-ALPHA,5A-ALPHA,6-ALPHA,9A-ALPHA,10-BETA,10A-BETA))-1,4A-DIHYDROXY-6-HYDROXY-METHYL-6,9A-DIMETHYL-PERHYDRO-NAPHTHO-[2,3-C]-PYRAN
SpectraBase Compound ID 1fPccRA2dMn
InChI InChI=1S/C22H38O5/c1-14(2)16(24)7-6-15-18-19(25)27-11-10-22(18,26)12-17-20(3,13-23)8-5-9-21(15,17)4/h14-15,17-19,23,25-26H,5-13H2,1-4H3/t15-,17-,18+,19+,20-,21+,22+/m0/s1
InChIKey AQAVGRLAPMCVEC-PAIQOOLNSA-N
Mol Weight 382.5 g/mol
Molecular Formula C22H38O5
Exact Mass 382.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiN22b6QPVz
Name 4-Methyl-1-[1',4'a-dihydroxy-6'-(hydroxymethyl)-6',9'a-dimethyl-(perhydro)naphtho[2,3-c]pyran-10'-yl]-3-pentanone
Alternate Name(s) 1-[(1R,4aS,5aR,6R,9aR,10S,10aS)-1,4a-dihydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1,3,4,5,5a,7,8,9,10,10a-decahydrobenzo[g][2]benzopyran-10-yl]-4-methyl-3-pentanone 1-[(1R,4aS,5aR,6R,9aR,10S,10aS)-1,4a-dihydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1,3,4,5,5a,7,8,9,10,10a-decahydrobenzo[g]isochromen-10-yl]-4-methylpentan-3-one 1-[(1R,4aS,5aR,6R,9aR,10S,10aS)-1,4a-dihydroxy-6-(hydroxymethyl)-6,9a-dimethyl-1,3,4,5,5a,7,8,9,10,10a-decahydrobenzo[g]isochromen-10-yl]-4-methyl-pentan-3-one 1-[(1R,4aS,5aR,6R,9aR,10S,10aS)-6-(hydroxymethyl)-6,9a-dimethyl-1,4a-bis(oxidanyl)-1,3,4,5,5a,7,8,9,10,10a-decahydrobenzo[g]isochromen-10-yl]-4-methyl-pentan-3-one
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Formula C22H38O5
InChI InChI=1S/C22H38O5/c1-14(2)16(24)7-6-15-18-19(25)27-11-10-22(18,26)12-17-20(3,13-23)8-5-9-21(15,17)4/h14-15,17-19,23,25-26H,5-13H2,1-4H3/t15-,17-,18+,19+,20-,21+,22+/m0/s1
InChIKey AQAVGRLAPMCVEC-PAIQOOLNSA-N
Molecular Weight 382.541 g/mol
SMILES OC[C@]1([C@]2([C@@]([C@]([C@]3([C@](C2)(CCO[C@]3(O)[H])O)[H])(CCC(=O)C(C)C)[H])(CCC1)C)[H])C
SPLASH splash10-001i-0090000000-b3f1b946af6b608e5f74
Source of Spectrum AH-133-239-15
Wiley ID 1546630