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

*Links on SpectraBase are not permalinks.

Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-(hydroxycarbonyl)propanoyl]-1-phenanthrenecarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-(hydroxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
SpectraBase Compound ID HvMZyaXNEjk
InChI InChI=1S/C23H34O5/c1-21(18(24)8-9-19(25)26)13-10-16-15(14-21)6-7-17-22(16,2)11-5-12-23(17,3)20(27)28-4/h14,16-17H,5-13H2,1-4H3,(H,25,26)
InChIKey QHUKBWODKDPNMW-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 1xShxoY8mSC
Name Methyl 1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-7-[3'-(hydroxycarbonyl)propanoyl]-1-phenanthrenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-21(18(24)8-9-19(25)26)13-10-16-15(14-21)6-7-17-22(16,2)11-5-12-23(17,3)20(27)28-4/h14,16-17H,5-13H2,1-4H3,(H,25,26)
InChIKey QHUKBWODKDPNMW-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES C12(C(C(C(=O)OC)(C)CCC2)CCC=2C1CCC(C(=O)CCC(=O)O)(C)C2)C