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Benzeneacetic acid, .alpha.-methoxy-, decahydro-8b-methyl-2-oxopyrrolo[3,2,1-hi]indol-1-yl ester, [1S-[1.alpha.(R*),5a.beta.,8a.alpha.,8b.beta.]]-
SpectraBase Compound ID IC0f0qqfllm
InChI InChI=1S/C20H25NO4/c1-12-8-9-13-10-11-21-16(13)15(12)18(19(21)22)25-20(23)17(24-2)14-6-4-3-5-7-14/h3-7,12-13,15-18H,8-11H2,1-2H3/t12-,13+,15-,16?,17-,18+/m0/s1
InChIKey AOTGDNKPANJMNT-WLWDKOCNSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bhIU30VnnK
Name Benzeneacetic acid, .alpha.-methoxy-, decahydro-8b-methyl-2-oxopyrrolo[3,2,1-hi]indol-1-yl ester, [1S-[1.alpha.(R*),5a.beta.,8a.alpha.,8b.beta.]]-
Alternate Name(s) (1S,3R,5aS,8aR,8bR)-1-[(S)-.alpha.-Methoxyphenylacetoxy]-8b-methyl-2-oxohexahydropyrrolidino[1,5,4-hj]indoline (1R,3S,5aR,8aS)-1-[(S)-.alpha.-Methoxyphenylacetoxy]-8b-methyl-2-oxohexahydropyrrolidino[1,5,4-hj]indoline (1R,5aR,8S,8aS)-8-methyl-2-oxodecahydropyrrolo[3,2,1-hi]indol-1-yl (2S)-methoxy(phenyl)ethanoate Pyrrolo[3,2,1-hi]indole, benzeneacetic acid deriv.
CAS Registry Number 130822-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-12-8-9-13-10-11-21-16(13)15(12)18(19(21)22)25-20(23)17(24-2)14-6-4-3-5-7-14/h3-7,12-13,15-18H,8-11H2,1-2H3/t12-,13+,15-,16?,17-,18+/m0/s1
InChIKey AOTGDNKPANJMNT-WLWDKOCNSA-N
Molecular Weight 343.423 g/mol
SMILES C1(N2C3[C@@]([C@]1(OC([C@](c1ccccc1)(OC)[H])=O)[H])([C@](CC[C@]3([H])CC2)(C)[H])[H])=O
SPLASH splash10-00fr-7910000000-891e15f82a183a4f54a2
Source of Spectrum F-46-4873-23
Wiley ID 1337349