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14,20-Cycloveatchane-11,12-diol, 19,21-didehydro-4-methyl-16-methylene-, 12-(2-methyl-2-butenoate), [11.alpha.,12.alpha.(E)]-
SpectraBase Compound ID 3LoVeQ4Dz3y
InChI InChI=1S/C25H33NO3/c1-5-13(2)22(28)29-19-16-14(3)11-24-10-7-15-23(4)8-6-9-25(15,20(24)18(19)27)21(17(16)24)26-12-23/h5,12,15-21,27H,3,6-11H2,1-2,4H3/b13-5+/t15-,16?,17-,18-,19-,20-,21-,23+,24-,25+/m1/s1
InChIKey VHNBBQRITVSNFR-LETDRUIWSA-N
Mol Weight 395.5 g/mol
Molecular Formula C25H33NO3
Exact Mass 395.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgnZRnLiFXO
Name 14,20-Cycloveatchane-11,12-diol, 19,21-didehydro-4-methyl-16-methylene-, 12-(2-methyl-2-butenoate), [11.alpha.,12.alpha.(E)]-
CAS Registry Number 60718-14-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO3
InChI InChI=1S/C25H33NO3/c1-5-13(2)22(28)29-19-16-14(3)11-24-10-7-15-23(4)8-6-9-25(15,20(24)18(19)27)21(17(16)24)26-12-23/h5,12,15-21,27H,3,6-11H2,1-2,4H3/b13-5+/t15-,16?,17-,18-,19-,20-,21-,23+,24-,25+/m1/s1
InChIKey VHNBBQRITVSNFR-LETDRUIWSA-N
Molecular Weight 395.543 g/mol
SMILES O[C@]1([C@]2([C@@]34CCC[C@@]5([C@]4(CC[C@@]22[C@@]([C@]3(N=C5)[H])(C([C@]1(OC(\C(=C\C)C)=O)[H])C(C2)=C)[H])[H])C)[H])[H]
SPLASH splash10-0002-1259000000-b7bb1f2ab63eb5ab9a7c
Source of Spectrum B-29-1326-0
Synonyms (4S,9R,15R,16S)-16-hydroxy-9-methyl-19-methylene-11-azahexacyclo[12.3.2.0(1,13).0(4,9).0(5,12).0(5,17)]nonadec-10-en-15-yl (2E)-2-methyl-2-butenoate 2H,7H-7,10-Ethano-7a,3,6a-[1]propanyl[3]ylidenepentaleno[1,2-b]azocine, 14,20-cycloveatchane-11,12-diol deriv. Anopterimine
Wiley ID 1367145