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1H-Indole, 3a-(3,4-dimethoxyphenyl)octahydro-6-methoxy-1-methyl-, [3aS-(3a.alpha.,6.beta.,7a.alpha.)]-
SpectraBase Compound ID AJfUht5OMhN
InChI InChI=1S/C18H27NO3/c1-19-10-9-18(8-7-14(20-2)12-17(18)19)13-5-6-15(21-3)16(11-13)22-4/h5-6,11,14,17H,7-10,12H2,1-4H3/t14-,17-,18-/m0/s1
InChIKey BRCOWWCDELYUSV-WBAXXEDZSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B38aO2pY2XQ
Name 1H-Indole, 3a-(3,4-dimethoxyphenyl)octahydro-6-methoxy-1-methyl-, [3aS-(3a.alpha.,6.beta.,7a.alpha.)]-
Alternate Name(s) (3aS,6S,7aS)-3a-(3,4-dimethoxyphenyl)-6-methoxy-1-methyloctahydro-1H-indole Mesembranol methyl ether
CAS Registry Number 59109-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-19-10-9-18(8-7-14(20-2)12-17(18)19)13-5-6-15(21-3)16(11-13)22-4/h5-6,11,14,17H,7-10,12H2,1-4H3/t14-,17-,18-/m0/s1
InChIKey BRCOWWCDELYUSV-WBAXXEDZSA-N
Molecular Weight 305.418 g/mol
SMILES [C@@]12([C@@](N(C)CC2)(C[C@](CC1)(OC)[H])[H])c1cc(OC)c(cc1)OC
SPLASH splash10-00xu-0092000000-bd96c06e767dc3696e68
Source of Spectrum O-11-8-3
Wiley ID 1307401