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4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-

View entire compound with spectra: 1 MS (GC)

4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-
SpectraBase Compound ID Ef1z6tolx9I
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19?,21+,22-,23?,24?,27+,28-,29-,30?/m1/s1
InChIKey WCGUUGGRBIKTOS-IGLZOKRPSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ef5ymLTP9hp
Name 4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-
Alternate Name(s) (2R,6aR,6aS,6bR,8aR,12aR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
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Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19?,21+,22-,23?,24?,27+,28-,29-,30?/m1/s1
InChIKey WCGUUGGRBIKTOS-IGLZOKRPSA-N
Molecular Weight 456.711 g/mol
SMILES OC1CC[C@]2([C@@](CC[C@]3([C@]4(C(C5C(C(=O)O)(CC4)CC[C@](C5C)(C)[H])=CC[C@]23[H])C)C)(C1(C)C)[H])C
SPLASH splash10-0aou-9710000000-7206de6f9e2ea5009ff2
Source of Spectrum IY-1-4699-7
Wiley ID 1654980