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

*Links on SpectraBase are not permalinks.
Sarpagan-16-carboxylic acid, 17-(acetyloxy)-, methyl ester
SpectraBase Compound ID 4L8fltwCf1n
InChI InChI=1S/C23H26N2O4/c1-4-14-11-25-19-10-17(14)23(22(27)28-3,12-29-13(2)26)20(25)9-16-15-7-5-6-8-18(15)24-21(16)19/h4-8,17,19-20,24H,9-12H2,1-3H3/b14-4-/t17-,19+,20?,23?/m1/s1
InChIKey BTWSGPSNLRSENY-UFQONEPZSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 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 BEd9xXDfRAQ
Name Sarpagan-16-carboxylic acid, 17-(acetyloxy)-, methyl ester
Alternate Name(s) Sarpagan-16-carboxylic acid, 17-(acetyloxy)-, methyl ester, (16R)- Acetylakuammidine Methyl (19trans)-16-[(acetyloxy)methyl]sarpagan-17-oate Akuammidine, acetate (ester)
CAS Registry Number 2520-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-4-14-11-25-19-10-17(14)23(22(27)28-3,12-29-13(2)26)20(25)9-16-15-7-5-6-8-18(15)24-21(16)19/h4-8,17,19-20,24H,9-12H2,1-3H3/b14-4-/t17-,19+,20?,23?/m1/s1
InChIKey BTWSGPSNLRSENY-UFQONEPZSA-N
Molecular Weight 394.471 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@]1(C[C@]3(C(C(C2)N1C\C3=C/C)(C(OC)=O)COC(C)=O)[H])[H]
SPLASH splash10-014i-1911000000-0fcd1c3cb70f8261b9c7
Source of Spectrum SD-1981-0-0
Wiley ID 1366711