Showing Metabocard for (1R,2R,3S,8R,10R,11R,15S,16S)-3-(acetyloxy)-15-[(4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0(2,8).0(12,16)]octadec-12-en-10-yl acetate (BASm0013078)
| Common Name | (1r,2r,3s,8r,10r,11r,15s,16s)-3-(acetyloxy)-15-[(4r)-4-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.0(2,8).0(12,16)]octadec-12-en-10-yl acetate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | Not Available |
| Average Mass | Not Available |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C |
| InChI Identifier | InChI=1S/C34H52O9/c1-18(36)40-26-15-25-30(3,4)42-28(39)16-27(41-19(2)37)34(25,9)24-12-13-32(7)21(10-11-23(32)33(24,26)8)20(17-35)14-22(38)29-31(5,6)43-29/h11,20-22,24-27,29,35,38H,10,12-17H2,1-9H3/t20?,21-,22+,24-,25-,26+,27-,29-,32-,33-,34+/m0/s1 |
| InChI Key | BBCQAEMIGQXEIR-JBKRWUOFSA-N |
| CHEBI ID | CHEBI:231480 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |