| SpectraBase Spectrum ID |
FfVCVwxi4Lr |
| Name |
2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1.alpha.(Z),3a.alpha.,5.beta.,14aS*]- |
| Alternate Name(s) |
Morellic acid
Crotonic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, stereoisomer
Isomorellic acid |
| CAS Registry Number |
5304-71-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H36O8 |
| InChI |
InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10+/t18-,22+,32+,33-/m0/s1 |
| InChIKey |
COVMVPHACFXMAX-MNUPSJBKSA-N |
| Molecular Weight |
560.643 g/mol |
| SMILES |
Oc1c2c(O[C@]34[C@@]5(C[C@@](C([C@@]4(C\C=C\(C(O)=O)C)OC5(C)C)=O)(C=C3C2=O)[H])[H])c(c2OC(C=Cc12)(C)C)CC=C(C)C |
| SPLASH |
splash10-014r-4297230000-27e4c937951afa279e2e |
| Source of Spectrum |
W5-37488-28048-28048 |
| Wiley ID |
1406776 |
![2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1.alpha.(Z),3a.alpha.,5.beta.,14aS*]-](/api/spectrum/FfVCVwxi4Lr/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1.alpha.(Z),3a.alpha.,5.beta.,14aS*]-")
