| SpectraBase Spectrum ID |
6IyjitcXKWd |
| Name |
Naphtho[2,3-c]furan-1(3H)-one, 4-(1,3-benzodioxol-5-yl)-3a,4,9,9a-tetrahydro-9-hydroxy-5,6,7-trimethoxy-, [3aR-(3a.alpha.,4.alpha.,9.alpha.,9a.beta.)]- |
| Alternate Name(s) |
(3aR,4S,9S,9aS)-4-(1,3-benzodioxol-5-yl)-9-hydroxy-5,6,7-trimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
1-Hydroxy-3-hydroxymethyl-5,6,7-trimethoxy-4-(3',4'-methylenedioxyphenyl)-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone |
| CAS Registry Number |
118626-96-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-25-15-7-11-17(21(27-3)20(15)26-2)16(12-8-28-22(24)18(12)19(11)23)10-4-5-13-14(6-10)30-9-29-13/h4-7,12,16,18-19,23H,8-9H2,1-3H3/t12-,16-,18+,19-/m1/s1 |
| InChIKey |
XMJTZYOZEOVCNG-PSVFENSKSA-N |
| Molecular Weight |
414.410 g/mol |
| SMILES |
O[C@@]1(c2c(c(OC)c(c(c2)OC)OC)[C@@]([C@@]2([C@@]1(C(OC2)=O)[H])[H])(c1cc2OCOc2cc1)[H])[H] |
| SPLASH |
splash10-03di-0001900000-4c9c1caa9e7ba696b71a |
| Source of Spectrum |
KC-1988-1621-18 |
| Wiley ID |
1375341 |
