| SpectraBase Spectrum ID |
IMkydruN57L |
| Name |
[3aalpha,6(E),7aalpha]-6-[4-(2,5-dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one (crystalgerone) |
| Alternate Name(s) |
(3aS,7aS)-6-[(2E)-4-(2,5-dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-1,2,3,3a,7,7a-hexahydro-4H-inden-4-one
[3a.alpha.,6(E),7a.alpha.]-6-[4-(2,5-dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one (crystalgerone) |
| CAS Registry Number |
91893-80-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H42O4 |
| InChI |
InChI=1S/C29H42O4/c1-19(10-11-21-16-23(32-7)15-20(2)25(21)33-8)14-22-17-28(5)12-9-13-29(28,6)26(30)24(22)18-27(3,4)31/h10,15-16,31H,9,11-14,17-18H2,1-8H3/b19-10+/t28-,29+/m0/s1 |
| InChIKey |
JJJJTQJVJRHYKV-JKDFNBTQSA-N |
| Molecular Weight |
454.651 g/mol |
| SMILES |
OC(CC=1C([C@]2(CCC[C@]2(CC1C\C(=C\Cc1c(c(C)cc(c1)OC)OC)C)C)C)=O)(C)C |
| SPLASH |
splash10-00ks-0944400000-31b173df99e96b9c4c09 |
| Source of Spectrum |
W5-1989-37716-27820 |
| Wiley ID |
1388878 |
![[3aalpha,6(E),7aalpha]-6-[4-(2,5-dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one (crystalgerone)](/api/spectrum/IMkydruN57L/structure.png?h=300&w=458 "[3aalpha,6(E),7aalpha]-6-[4-(2,5-dimethoxy-3-methylphenyl)-2-methyl-2-butenyl]-1,2,3,3a,7,7a-hexahydro-5-(2-hydroxy-2-methylpropyl)-3a,7a-dimethyl-4H-inden-4-one (crystalgerone)")
