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2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,2.beta.,4a.beta.,5.alpha.,8a.alpha.)-
SpectraBase Compound ID lX53DIT09n
InChI InChI=1S/C30H41NO2/c1-20(2)10-9-16-30(6)27-14-13-21(3)25(29(27,5)17-15-28(30)33-22(4)32)18-23-19-31-26-12-8-7-11-24(23)26/h7-8,10-12,19,25,27-28,31H,3,9,13-18H2,1-2,4-6H3/t25-,27-,28+,29-,30+/m1/s1
InChIKey OJBRBRWHDYNBPR-TWZZTNFBSA-N
Mol Weight 447.7 g/mol
Molecular Formula C30H41NO2
Exact Mass 447.31373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3KxgoL5qxK
Name 2-Naphthalenol, decahydro-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)-, acetate, (1.alpha.,2.beta.,4a.beta.,5.alpha.,8a.alpha.)-
CAS Registry Number 110883-38-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H41NO2
InChI InChI=1S/C30H41NO2/c1-20(2)10-9-16-30(6)27-14-13-21(3)25(29(27,5)17-15-28(30)33-22(4)32)18-23-19-31-26-12-8-7-11-24(23)26/h7-8,10-12,19,25,27-28,31H,3,9,13-18H2,1-2,4-6H3/t25-,27-,28+,29-,30+/m1/s1
InChIKey OJBRBRWHDYNBPR-TWZZTNFBSA-N
Molecular Weight 447.663 g/mol
SMILES [nH]1c2c(c(c1)C[C@]1([C@@]3([C@]([C@@](CCC=C(C)C)(C)[C@](CC3)(OC(=O)C)[H])(CCC1=C)[H])C)[H])cccc2
SPLASH splash10-001i-0900000000-943ff8393cbd13a9d8b1
Source of Spectrum KC-1988-1692-4
Synonyms (1S,2S,4aR,5R,8aR)-5-(1H-indol-3-ylmethyl)-1,4a-dimethyl-6-methylene-1-(4-methyl-3-pentenyl)decahydro-2-naphthalenyl acetate Emindole da acetate Emindole da monoacetate
Wiley ID 1387000