| Properties | Image |
|---|
| MNX_ID | MNXM103626 |
 |
| reference | chebi:66831 |
| formula | C33H38O7 |
| global charge | 0 |
| mol weight | 546.66 |
| InChIKey | HYPWFAUBYBMXNJ-DMRFDBRWSA-N |
| InChI | InChI=1S/C33H38O7/c1-21-16-18-26(37-22(2)34)32(5)27(38-30(36)24-14-10-7-11-15-24)20-25-29(33(21,32)40-31(25,3)4)39-28(35)19-17-23-12-8-6-9-13-23/h6-15,17,19,21,25-27,29H,16,18,20H2,1-5H3/b19-17+/t21-,25-,26+,27+,29-,32+,33-/m1/s1 |
| SMILES | CC(=O)O[C@H]1CC[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]12C)[C@H]3OC(=O)/C=C/C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C33H38O7/c1-21-16-18-26(37-22(2)34)32(5)27(38-30(36)24-14-10-7-11-15-24)20-25-29(33(21,32)40-31(25,3)4)39-28(35)19-17-23-12-8-6-9-13-23/h6-15,17,19,21,25-27,29H,16,18,20H2,1-5H3/b19-17+/t21-,25-,26+,27+,29-,32+,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:21]1[CH2:16][CH2:18][C@H:26]([O:37][C:22]([CH3:2])=[O:34])[C@@:32]2([CH3:5])[C@@H:27]([O:38][C:30]([C:24]3=[CH:14][CH:10]=[CH:7][CH:11]=[CH:15]3)=[O:36])[CH2:20][C@@H:25]3[C@@H:29]([O:39][C:28](/[CH:19]=[CH:17]/[C:23]4=[CH:12][CH:8]=[CH:6][CH:9]=[CH:13]4)=[O:35])[C@:33]12[O:40][C:31]3([CH3:3])[CH3:4] |
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