John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7NVckTFOneO SpectraBase Spectrum ID=97asKeqQ8C9

(accessed ).
ISOROSTHIN_B;15-ALPHA-ACETOXY-6-ALPHA-HYDROXY-20-OXO-6,11-EPOXY-6,7-SECO-1-ALPHA,7-OLIDE-ENT-KAUR-9-(11),16-DIENE
SpectraBase Compound ID 7NVckTFOneO
InChI InChI=1S/C22H26O7/c1-10-12-7-13-15-21(8-12,17(10)27-11(2)24)19(26)29-14-5-6-20(3,4)16(18(25)28-13)22(14,15)9-23/h9,12,14,16-18,25H,1,5-8H2,2-4H3/t12-,14+,16-,17-,18+,21+,22+/m1/s1
InChIKey YDLGPWCVDZTIJF-NFIRHCNDSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97asKeqQ8C9
Name ISOROSTHIN_B;15-ALPHA-ACETOXY-6-ALPHA-HYDROXY-20-OXO-6,11-EPOXY-6,7-SECO-1-ALPHA,7-OLIDE-ENT-KAUR-9-(11),16-DIENE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-10-12-7-13-15-21(8-12,17(10)27-11(2)24)19(26)29-14-5-6-20(3,4)16(18(25)28-13)22(14,15)9-23/h9,12,14,16-18,25H,1,5-8H2,2-4H3/t12-,14+,16-,17-,18+,21+,22+/m1/s1
InChIKey YDLGPWCVDZTIJF-NFIRHCNDSA-N
Literature Reference Author R.ZHAN,X.N.LI,X.DU,W.G.WANG,K.DONG,J.SU,Y.LI,J.X.PU,H.D.SUN
Literature Reference Citation J.NAT.PROD.,76,1267(2013)
Literature Reference DOI 10.1021/np400190n
Molecular Weight 402.444 g/mol
Sample ID 42714
Solvent CDCl3
SpectraBase Batch ID GnhvbGmY830