Account 3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
- Catalog No. :
- ACBZMN994
- CAS No. :
- 21671-00-1
- Molecular Formula :
- C30H50O4
- Molecular Weight :
- 474.73
IUPAC Name:3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
![3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid |
|---|---|
| IUPAC Name | 3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid |
| MDL No. | MFCD20260364 |
| Molecular Formula | C30H50O4 |
| Molecular Weight | 474.73 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O |
| InChI Key | ZKBGKWZSOPPDSD-INPVNEGFSA-N |
| Synonym | Shoreic acid;20,24-Epoxy-25-hydroxy-3,4-seco-4(28)-dammaren-3-oic acid methyl ester;(24R)-20,24-Epoxy-25-hydroxy-3,4-seco-5α-dammar-4(28)-en-3-oic acid;Shoric acid;1H-Benz[e]indene-6-propanoic acid, dodecahydro-6,9a,9b-trimethyl-7-(1-methylethenyl)-3-[(2S,5R)-tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-, (3S,3aR,5aR,6S,7S,9aR,9bR)- |
| CAS No. | 21671-00-1 |
Synthetic Route by SureRoute
2. ACBZMN994 Molecular Building Block Synthetic Route
3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
3-((3S,3aR,5aR,6S,7S,9aR,9bR)-3-((2S)-5-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid
3-(6,9a,9b-trimethyl-3-(2-methyl-5-(prop-1-en-2-yl)tetrahydrofuran-2-yl)-7-(prop-1-en-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-6-yl)propanoic acid