For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S,3S,6S,9S)-2-Benzyloxymethyl-3,6-dimethyl-dodecahydro-4a-aza-cyclopenta[b]naphthalene-9-carboxylic acid ethyl ester
SpectraBase Compound ID 35ApKUGPXxb
InChI InChI=1S/C25H37NO3/c1-4-29-25(27)24-21-12-20(16-28-15-19-8-6-5-7-9-19)18(3)22(21)14-26-13-17(2)10-11-23(24)26/h5-9,17-18,20-24H,4,10-16H2,1-3H3/t17-,18+,20+,21?,22?,23?,24-/m0/s1
InChIKey ZSDHONLAAVRJKN-JHWUVIAVSA-N
Mol Weight 399.6 g/mol
Molecular Formula C25H37NO3
Exact Mass 399.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 66GI6K3CotJ
Name (2S,3S,6S,9S)-2-Benzyloxymethyl-3,6-dimethyl-dodecahydro-4a-aza-cyclopenta[b]naphthalene-9-carboxylic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO3
InChI InChI=1S/C25H37NO3/c1-4-29-25(27)24-21-12-20(16-28-15-19-8-6-5-7-9-19)18(3)22(21)14-26-13-17(2)10-11-23(24)26/h5-9,17-18,20-24H,4,10-16H2,1-3H3/t17-,18+,20+,21?,22?,23?,24-/m0/s1
InChIKey ZSDHONLAAVRJKN-JHWUVIAVSA-N
Molecular Weight 399.575 g/mol
SMILES C12N(CC3C([C@@]2(C(=O)OCC)[H])C[C@@]([C@]3(C)[H])(COCc2ccccc2)[H])C[C@](CC1)(C)[H]
SPLASH splash10-0a4i-0409000000-f50483dd0c627112280e
Source of Spectrum C-117-5762-17
Synonyms 2-[(Benzyloxy)methyl]-5-(ethoxymethyl)-1,9-dimethyltricyclo[7.4.3.0(4,13).0(6,11)]tridecane
Wiley ID 1697845