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CALODIMER_C;6,7-DEAHYDROABIETA-8,11-13-TRIEN-12-YL_7-ALPHA,12-DIHYDROXYABIETA-8,11-13-TRIEN-6-ALPHA-YL_ETHER
SpectraBase Compound ID DaSTyz6RfPh
InChI InChI=1S/C40H56O3/c1-23(2)26-20-28-30(21-31(26)41)40(10)18-12-16-38(7,8)36(40)35(34(28)42)43-32-22-29-25(19-27(32)24(3)4)13-14-33-37(5,6)15-11-17-39(29,33)9/h13-14,19-24,33-36,41-42H,11-12,15-18H2,1-10H3/t33-,34-,35-,36-,39+,40+/m0/s1
InChIKey BVXJJUVTDVHJFN-WYQIBVNASA-N
Mol Weight 584.9 g/mol
Molecular Formula C40H56O3
Exact Mass 584.422946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIhkobJRVxA
Name 6,7-Dehydroabieta-8',11',13'-trien-12'-yl 7 .alpha.,12-Dihydroxyabieta-8,11,13-trien-6.alpha.-yl-Ether
Alternate Name(s) Calocedimer C (4bS,8aS,9R,10S)-9-[[(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-yl]oxy]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,10-diol
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Formula C40H56O3
InChI InChI=1S/C40H56O3/c1-23(2)26-20-28-30(21-31(26)41)40(10)18-12-16-38(7,8)36(40)35(34(28)42)43-32-22-29-25(19-27(32)24(3)4)13-14-33-37(5,6)15-11-17-39(29,33)9/h13-14,19-24,33-36,41-42H,11-12,15-18H2,1-10H3/t33-,34-,35-,36-,39+,40+/m0/s1
InChIKey BVXJJUVTDVHJFN-WYQIBVNASA-N
Molecular Weight 584.885 g/mol
SMILES O[C@@]1([C@@]([C@@]2([C@@](c3cc(c(cc13)C(C)C)O)(CCCC2(C)C)C)[H])(Oc1cc2[C@@]3([C@@](C(C)(C)CCC3)([H])C=Cc2cc1C(C)C)C)[H])[H]
SPLASH splash10-014i-0005190000-e8be850b783f35688985
Source of Spectrum G4-69-667-3
Wiley ID 1694250