Account 16-Oxolyclanitin-29-yl p-coumarate
- Catalog No. :
- ACBEUG237
- CAS No. :
- 140701-70-8
- Molecular Formula :
- C39H54O8
- Molecular Weight :
- 650.85
IUPAC Name:((2R,3S,4S,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-2,3,11-trihydroxy-10-(hydroxymethyl)-4,7a,10,13a,15b-pentamethyl-5-oxo-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-4-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate
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Product Information
| Product Name | 16-Oxolyclanitin-29-yl p-coumarate |
|---|---|
| IUPAC Name | ((2R,3S,4S,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-2,3,11-trihydroxy-10-(hydroxymethyl)-4,7a,10,13a,15b-pentamethyl-5-oxo-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-4-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate |
| Molecular Formula | C39H54O8 |
| Molecular Weight | 650.85 |
| SMILES | C[C@@]12[C@@]3(C(C[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)([C@](CO)(C)[C@H](O)CC5)[H])[H])=CC(=O)[C@]1([C@](COC(/C=C/C6=CC=C(O)C=C6)=O)(C)[C@H](O)[C@H](O)C2)[H])[H] |
| InChI Key | MRWGLEJAOZFVHP-WGJNRXGMSA-N |
| Synonym | 16-Oxolyclanitin-29-yl p-coumarate;2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(2R,3S,4S,4aR,7aS,9aR,10S,11R,13aR,13bS,15aS,15bR)-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-2,3,11-trihydroxy-10-(hydroxymethyl)-4,7a,10,13a,15b-pentamethyl-5-oxo-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-4-yl]methyl ester, (2E)- |
| CAS No. | 140701-70-8 |
Synthetic Route by SureRoute
2. ACBEUG237 Molecular Building Block Synthetic Route
(1S,2R,4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-1,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(4aS,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-11-hydroxy-9-(hydroxymethyl)-10-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-1,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid