Account (E)-3-((1R,4S,7R,7aR)-1-Acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid
- Catalog No. :
- ACTKWO174
- CAS No. :
- 84638-55-1
- Molecular Formula :
- C17H24O4
- Molecular Weight :
- 292.38
IUPAC Name:(E)-3-((1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid
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Product Information
| Product Name | (E)-3-((1R,4S,7R,7aR)-1-Acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid |
|---|---|
| IUPAC Name | (E)-3-((1R,4S,7R,7aR)-1-acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid |
| Molecular Formula | C17H24O4 |
| Molecular Weight | 292.38 |
| SMILES | C(=C(/C(O)=O)\C)\[C@H]1C=2[C@]([C@H](OC(C)=O)CC2C)([C@H](C)CC1)[H] |
| InChI Key | VBBXZFLAYWAXSK-HYJCDKNOSA-N |
| Synonym | 2-Propenoic acid, 3-[(1R,4S,7R,7aR)-1-(acetyloxy)-2,4,5,6,7,7a-hexahydro-3,7-dimethyl-1H-inden-4-yl]-2-methyl-, (2E)-;Valerenic Acid Acetoxy Impurity;Inhibitor,ACETOXYVALERENIC ACID,inhibit;(E)-3-((1R,4S,7R,7aR)-1-Acetoxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylacrylic acid;ACETOXYVALERENIC ACID, 10 mM in DMSO |
| CAS No. | 84638-55-1 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACTKWO174 Molecular Building Block Synthetic Route
Kadnanolactone B
(R,E)-6-((3R,5R,10S,13R,14R,15S,17R)-15-acetoxy-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
(6R,E)-6-((3S,10S,13R,14R,15S,17R)-3,15-diacetoxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid