| SpectraBase Spectrum ID |
5pbqo9fadZm |
| Name |
Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-3a,4,9,9a-tetrahydro-4-hydroxy-6,7-dimethoxy-, [3aR-(3a.alpha.,4.beta.,9.beta.,9a.beta.)]- |
| CAS Registry Number |
118535-09-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c1-24-15-6-11-12(7-16(15)25-2)20(22)13-8-26-21(23)19(13)18(11)10-3-4-14-17(5-10)28-9-27-14/h3-7,13,18-20,22H,8-9H2,1-2H3/t13-,18-,19-,20+/m0/s1 |
| InChIKey |
DUQMFJLPYJQVDV-XCXWGBRNSA-N |
| Molecular Weight |
384.384 g/mol |
| SMILES |
O[C@@]1(c2c(cc(c(c2)OC)OC)[C@@]([C@@]2([C@@]1(COC2=O)[H])[H])(c1cc2OCOc2cc1)[H])[H] |
| SPLASH |
splash10-001i-0009000000-3cabb32a032f6b954939 |
| Source of Spectrum |
KC-1988-1620-13 |
| Synonyms |
(3aR,4S,9S,9aR)-9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,4,9,9a-tetrahydronaphtho[2,3-c]furan-1(3H)-one
4-Hydroxy-3-hydroxymethyl-6,7-dimethoxy-1-(3',4'-methylenedioxyphenyl)-1,2,3,4-tetrahydro-2-naphthoic acid .gamma.-lactone |
| Wiley ID |
1361518 |
