| SpectraBase Spectrum ID |
KG2qHzW4TGb |
| Name |
Neopodophyllotoxin |
| Alternate Name(s) |
(5R,8R,9R,11R)-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-8,9-dihydro-5,8-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-c]oxepin-7(5H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(29-9-28-14)7-12(11)20-13(8-23)19(18)22(24)30-20/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 |
| InChIKey |
IXIUIXFHMVRZSY-XVVDYKMHSA-N |
| Literature Reference DOI |
10.1021/ol0630954 |
| Molecular Weight |
414.410 g/mol |
| SMILES |
OC[C@@]1([C@@]2(c3cc4OCOc4cc3[C@@](c3cc(c(c(c3)OC)OC)OC)([C@]1(C(=O)O2)[H])[H])[H])[H] |
| SPLASH |
splash10-03di-0426900000-f95d9415f99c0a9b25f8 |
| Source of Spectrum |
A1-9-1199/SM9-11 |
| Wiley ID |
1757911 |
