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Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), [3.beta.(Z),4.alpha.,16.beta.]-
SpectraBase Compound ID 3LoPciftubb
InChI InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6+/t17?,19-,20?,21?,22?,23?,24?,26-,27?,28?,29?,30+,31?,32-/m0/s1
InChIKey DBUCFOVFALNEOO-HWHGCLAWSA-N
Mol Weight 591.7 g/mol
Molecular Formula C32H49NO9
Exact Mass 591.340732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pSXr4WM1t9
Name Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), [3.beta.(Z),4.alpha.,16.beta.]-
CAS Registry Number 62-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H49NO9
InChI InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6+/t17?,19-,20?,21?,22?,23?,24?,26-,27?,28?,29?,30+,31?,32-/m0/s1
InChIKey DBUCFOVFALNEOO-HWHGCLAWSA-N
Molecular Weight 591.742 g/mol
SMILES OC12CC(C3(C(C1(C[C@]14C2CC[C@]2([C@]4(C)CCC([C@@]2(O)O1)OC(=O)\C(=C\C)C)[H])O)CN1CC(C)CCC1C3(C)O)O)O
SPLASH splash10-03di-7900010000-b8ba5f45bce12726f504
Synonyms (Z)-4-.alpha.,9-Epoxycevane-3-.beta.,4,12,14,16-.beta.,17,20-heptol 3-(2-methyl-2-butenoate) (Z)-4-Alpha,9-epoxycevane-3-beta,4,12,14,16-beta,17,20-heptol 3-(2-methyl-2-butenoate) .alpha.-Veratrine Caustic barley Cevadene Cevadilla Cevadin Cevadine Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-[(2Z)-2-methyl-2-butenoate], (3b,4a,16b)- Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)- Cevane-3.beta.,4.beta.,12,14,16.beta.,17,20-heptol, 4,9-epoxy-, 3-((Z)-2-methylcrotonate), (Z)- Veratrine Veratrine (crystallized) BRN 0072445 EINECS 200-545-6 NSC 93767
Wiley ID 1509474