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

*Links on SpectraBase are not permalinks.

(3S,5R,6R,6'S)-3,5,6'-TRIHYDROXY-3'-OXO-6,7-DIDEHYDRO-5,6-DIHYDRO-10,11,20-TRINOR-BETA,EPSILON-CAROTEN-19',11'-OLIDE-3-ACETATE

View entire compound with spectra: 1 NMR

(3S,5R,6R,6'S)-3,5,6'-TRIHYDROXY-3'-OXO-6,7-DIDEHYDRO-5,6-DIHYDRO-10,11,20-TRINOR-BETA,EPSILON-CAROTEN-19',11'-OLIDE-3-ACETATE
SpectraBase Compound ID 28dBUXRjjeA
InChI InChI=1S/C39H48O7/c1-26(16-17-34-36(5,6)24-33(45-29(4)40)25-38(34,9)43)14-12-10-11-13-15-27(2)20-32-22-30(35(42)46-32)18-19-39(44)28(3)21-31(41)23-37(39,7)8/h10-16,18-22,33,43-44H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20+/t17?,33-,38+,39+/m0/s1
InChIKey SXOGJBMNSIHZFB-ZKZFRIHWSA-N
Mol Weight 628.8 g/mol
Molecular Formula C39H48O7
Exact Mass 628.340004 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 7yvA6QOd5Vl
Name (3S,5R,6R,6'S)-3,5,6'-TRIHYDROXY-3'-OXO-6,7-DIDEHYDRO-5,6-DIHYDRO-10,11,20-TRINOR-BETA,EPSILON-CAROTEN-19',11'-OLIDE-3-ACETATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H48O7
InChI InChI=1S/C39H48O7/c1-26(16-17-34-36(5,6)24-33(45-29(4)40)25-38(34,9)43)14-12-10-11-13-15-27(2)20-32-22-30(35(42)46-32)18-19-39(44)28(3)21-31(41)23-37(39,7)8/h10-16,18-22,33,43-44H,23-25H2,1-9H3/b12-10+,13-11+,19-18+,26-14+,27-15+,32-20+/t17?,33-,38+,39+/m0/s1
InChIKey SXOGJBMNSIHZFB-ZKZFRIHWSA-N
Literature Reference Author T.MAOKA,K.HASHIMOTO,N.AKIMOTO,Y.FUJIWARA
Literature Reference Citation J.NAT.PROD.,64,578(2001)
Literature Reference DOI 10.1021/np000476w
Molecular Weight 628.806 g/mol
Solvent CDCl3