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

*Links on SpectraBase are not permalinks.

Podophyllotoxone

View entire compound with spectra: 2 NMR, and 2 MS (GC)

Podophyllotoxone
SpectraBase Compound ID 5DAWxBoSgZC
InChI InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
InChIKey ISCQYPPCSYRZOT-BKTGTZMESA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 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 LVebM1VOm5u
Name (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione
Alternate Name(s) (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione (5aR,8aR,9R)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-quinone Podophyllotoxone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3/t13-,18+,19-/m0/s1
InChIKey ISCQYPPCSYRZOT-BKTGTZMESA-N
Molecular Weight 412.394 g/mol
SMILES [C@@]12([C@@]([C@](c3cc(OC)c(c(c3)OC)OC)(c3c(C1=O)cc1c(OCO1)c3)[H])(C(=O)OC2)[H])[H]
SPLASH splash10-03di-0002900000-9ca4152527593ac5e3d9
Source of Spectrum X2-52-1294-6
Wiley ID 1603360