| SpectraBase Spectrum ID |
IcWnWGFJ0Ex |
| Name |
Spiro[1,3-dioxolane-2,1'-[1H]indene]-4'-carboxylic acid, octahydro-5'-(2-hydroxy-4-methoxyphenyl)-7'A-methyl-, methyl ester, (3'A.alpha.,4'.beta.,5'.beta.,7'A.beta.)-(.+-.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.188588616 u |
| Formula |
C21H28O6 |
| InChI |
InChI=1S/C21H28O6/c1-20-8-6-15(14-5-4-13(24-2)12-17(14)22)18(19(23)25-3)16(20)7-9-21(20)26-10-11-27-21/h4-5,12,15-16,18,22H,6-11H2,1-3H3/t15-,16+,18+,20+/m1/s1 |
| InChIKey |
NQTRTFHIJOJFMZ-JMVFIXPQSA-N |
| Molecular Weight |
376.449 g/mol |
| SMILES |
[C@@]12([C@]([C@@](C(=O)OC)([C@](CC2)(C=2C(=CC(=CC2)OC)O)[H])[H])(CCC11OCCO1)[H])C |
![Spiro[1,3-dioxolane-2,1'-[1H]indene]-4'-carboxylic acid, octahydro-5'-(2-hydroxy-4-methoxyphenyl)-7'a-methyl-, methyl ester, (3'a.alpha.,4'.beta.,5'.beta.,7'a.beta.)-(.+-.)-](/api/spectrum/IcWnWGFJ0Ex/structure.png?h=300&w=458 "Spiro[1,3-dioxolane-2,1'-[1H]indene]-4'-carboxylic acid, octahydro-5'-(2-hydroxy-4-methoxyphenyl)-7'a-methyl-, methyl ester, (3'a.alpha.,4'.beta.,5'.beta.,7'a.beta.)-(.+-.)-")
