| SpectraBase Spectrum ID |
JVLLTq7teAN |
| Name |
(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one |
| Alternate Name(s) |
(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
(5R,5aS,8aR,9R)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| CAS Registry Number |
55568-80-4 |
| 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(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18-,19+,20+/m1/s1 |
| InChIKey |
YJGVMLPVUAXIQN-YFMMTPMMSA-N |
| Molecular Weight |
414.410 g/mol |
| SMILES |
O[C@]1(c2c(cc3c(c2)OCO3)[C@]([C@@]2([C@]1(COC2=O)[H])[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H] |
| SPLASH |
splash10-0irr-0900500000-74f98e04994e15881a81 |
| Source of Spectrum |
J-40-2386-0 |
| Wiley ID |
1375332 |
![(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one](/api/spectrum/JVLLTq7teAN/structure.png?h=300&w=458 "(5R,5aS,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one")
