SpectraBase Spectrum ID |
GEREOr8MFuV |
Name |
(5S,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 |
CAS Registry Number |
60660-50-6 |
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-NWTFUFRBSA-N |
Molecular Weight |
414.410 g/mol |
SMILES |
O[C@@]1(c2cc3c(OCO3)cc2[C@]([C@@]2([C@]1(COC2=O)[H])[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H] |
SPLASH |
splash10-01ot-0419700000-aa74ba6befd3bf50f957 |
Source of Spectrum |
J-54-4289-35 |
Synonyms |
(5S,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
(5S,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 |
Wiley ID |
1375338 |