| SpectraBase Spectrum ID |
J1GQUlMumnq |
| Name |
(5S,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one |
| CAS Registry Number |
118627-04-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O8 |
| InChI |
InChI=1S/C22H22O8/c1-25-16-4-10(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+/m0/s1 |
| InChIKey |
YJGVMLPVUAXIQN-XCXWGBRNSA-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 |
splash10-03di-0001900000-41f593a6743dec7163aa |
| Source of Spectrum |
KC-1988-1622-6 |
| Synonyms |
(5S,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
(5S,5aR,8aR,9S)-5-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
(5S,5aR,8aR,9S)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
| Wiley ID |
1375342 |
![(5S,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one](/api/spectrum/J1GQUlMumnq/structure.png?h=300&w=458 "(5S,5aR,8aR,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one")
