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Mastigophorene A

View entire compound with spectra: 2 NMR, and 2 MS (GC)

Mastigophorene A
SpectraBase Compound ID JR1vEuSH1ZA
InChI InChI=1S/C30H42O4/c1-17-15-19(29(7)13-9-11-27(29,3)4)23(31)25(33)21(17)22-18(2)16-20(24(32)26(22)34)30(8)14-10-12-28(30,5)6/h15-16,31-34H,9-14H2,1-8H3/t29-,30-/m1/s1
InChIKey TZWQPPFRZCEUCT-LOYHVIPDSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfY0o0OlQas
Name Mastigophorene A
Alternate Name(s) Mastigophorene B 3-[2,3-dihydroxy-6-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]-4-methyl-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol 4-Methyl-3-[6-methyl-2,3-bis(oxidanyl)-4-[(1S)-1,2,2-trimethylcyclopentyl]phenyl]-6-[(1S)-1,2,2-trimethylcyclopentyl]benzene-1,2-diol
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Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-17-15-19(29(7)13-9-11-27(29,3)4)23(31)25(33)21(17)22-18(2)16-20(24(32)26(22)34)30(8)14-10-12-28(30,5)6/h15-16,31-34H,9-14H2,1-8H3/t29-,30-/m1/s1
InChIKey TZWQPPFRZCEUCT-LOYHVIPDSA-N
Molecular Weight 466.662 g/mol
SMILES Oc1c(c(-c2c(c(c(cc2C)[C@@]2(C(CCC2)(C)C)C)O)O)c(cc1[C@@]1(C(CCC1)(C)C)C)C)O
SPLASH splash10-014i-0004900000-6d2b9d337234e954d715
Source of Spectrum KC-57-7134-1
Wiley ID 1625416