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

*Links on SpectraBase are not permalinks.

(1S,5S,6R)-3-Acetoxy-1,5,6-trimethyl-5-(3-oxo-butyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester

View entire compound with spectra: 2 MS (GC)

(1S,5S,6R)-3-Acetoxy-1,5,6-trimethyl-5-(3-oxo-butyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
SpectraBase Compound ID LO2SwyFS4Xv
InChI InChI=1S/C21H32O5/c1-13-7-8-17-18(20(13,4)10-9-14(2)22)11-16(26-15(3)23)12-21(17,5)19(24)25-6/h11,13,16-17H,7-10,12H2,1-6H3/t13-,16?,17?,20+,21+/m1/s1
InChIKey NPVXAVUBPWHWSA-QISZYENRSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 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 5ZkBWAP8mDo
Name (1S,5S,6R)-3-Acetoxy-1,5,6-trimethyl-5-(3-oxo-butyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalene-1-carboxylic acid methyl ester
Alternate Name(s) Methyl 2.alpha.-Acetoxy-13-oxo-14,15-dinor-1(10)-ent-halimen-18-oate Methyl 2.beta.-Acetoxy-13-oxo-14,15-dinor-1(10)-ent-halimen-18-oate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-13-7-8-17-18(20(13,4)10-9-14(2)22)11-16(26-15(3)23)12-21(17,5)19(24)25-6/h11,13,16-17H,7-10,12H2,1-6H3/t13-,16?,17?,20+,21+/m1/s1
InChIKey NPVXAVUBPWHWSA-QISZYENRSA-N
Molecular Weight 364.482 g/mol
SMILES C1=2C([C@@](C(=O)OC)(CC(C2)OC(=O)C)C)CC[C@]([C@@]1(CCC(=O)C)C)(C)[H]
SPLASH splash10-05fr-0930000000-d593aaee79ef44909137
Source of Spectrum F-59-690-7
Wiley ID 1676822