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1,2-Bis[(3a,4,5,9b-Tetrahydro-8-hydroxy-3,6,9-trimethylnaphtho[1,2-b]furan-2(3H)-one-7-yl)-methyleneamino]cyclohexane
SpectraBase Compound ID 7QTvPnxQSsb
InChI InChI=1S/C38H46N2O6/c1-17-23-11-13-25-19(3)37(43)45-35(25)31(23)21(5)33(41)27(17)15-39-29-9-7-8-10-30(29)40-16-28-18(2)24-12-14-26-20(4)38(44)46-36(26)32(24)22(6)34(28)42/h15-16,19-20,25-26,29-30,35-36,41-42H,7-14H2,1-6H3/b39-15+,40-16+/t19-,20-,25-,26-,29+,30+,35-,36-/m0/s1
InChIKey DIYQRPLPGMFRPV-HDAPOJTCSA-N
Mol Weight 626.8 g/mol
Molecular Formula C38H46N2O6
Exact Mass 626.335587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vqXmlaXxD0
Name 1,2-Bis[(3a,4,5,9b-Tetrahydro-8-hydroxy-3,6,9-trimethylnaphtho[1,2-b]furan-2(3H)-one-7-yl)-methyleneamino]cyclohexane
Alternate Name(s) 1,2-Bis[(3a,5,5a,9b-Tetrahydro-8-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one-7-methyleneamino]cyclohexane 8-Hydroxy-7-{(E)-[(2-{[(E)-(8-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9b-hexahydronaphtho[1,2-b]furan-7-yl)methylidene]amino}cyclohexyl)imino]methyl}-3,6,9-trimethyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one
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Formula C38H46N2O6
InChI InChI=1S/C38H46N2O6/c1-17-23-11-13-25-19(3)37(43)45-35(25)31(23)21(5)33(41)27(17)15-39-29-9-7-8-10-30(29)40-16-28-18(2)24-12-14-26-20(4)38(44)46-36(26)32(24)22(6)34(28)42/h15-16,19-20,25-26,29-30,35-36,41-42H,7-14H2,1-6H3/b39-15+,40-16+/t19-,20-,25-,26-,29+,30+,35-,36-/m0/s1
InChIKey DIYQRPLPGMFRPV-HDAPOJTCSA-N
Molecular Weight 626.794 g/mol
SMILES Oc1c(\C=N\[C@]2([C@](\N=C\c3c(c4c(c(c3O)C)[C@]3(OC([C@]([C@@]3(CC4)[H])(C)[H])=O)[H])C)(CCCC2)[H])[H])c(c2CC[C@]3([C@@](C(O[C@@]3(c2c1C)[H])=O)(C)[H])[H])C
SPLASH splash10-0ufr-0026019000-5008ccad79facf25807b
Source of Spectrum F-52-12037-8
Wiley ID 798864