| Properties | Image |
|---|
| MNX_ID | MNXM108748 |
 |
| reference | chebi:66444 |
| formula | C33H35NO8 |
| global charge | 0 |
| mol weight | 573.642 |
| InChIKey | KOVASSJTPZCMEZ-ZYRAKILPSA-N |
| InChI | InChI=1S/C33H35NO8/c1-20-24(35)12-13-25-31(2,15-14-21-17-26(36)40-19-21)33(4,39)28(42-29(37)22-9-6-5-7-10-22)27(32(20,25)3)41-30(38)23-11-8-16-34-18-23/h5-11,14-18,24-25,27-28,35,39H,1,12-13,19H2,2-4H3/b15-14+/t24-,25+,27-,28-,31+,32-,33-/m0/s1 |
| SMILES | C=C1[C@@H](O)CC[C@H]2[C@@]1(C)[C@@H](OC(=O)C1=CC=CN=C1)[C@H](OC(=O)C1=CC=CC=C1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 |
MNX internals
| InChI (mnx) | InChI=1/C33H35NO8/c1-20-24(35)12-13-25-31(2,15-14-21-17-26(36)40-19-21)33(4,39)28(42-29(37)22-9-6-5-7-10-22)27(32(20,25)3)41-30(38)23-11-8-16-34-18-23/h5-11,14-18,24-25,27-28,35,39H,1,12-13,19H2,2-4H3/b15-14+/t24-,25+,27-,28-,31+,32-,33-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:20]1[C@@H:24]([OH:35])[CH2:12][CH2:13][C@@H:25]2[C@@:31]([CH3:2])(/[CH:15]=[CH:14]/[C:21]3=[CH:17][C:26](=[O:36])[O:40][CH2:19]3)[C@@:33]([CH3:4])([OH:39])[C@@H:28]([O:42][C:29]([C:22]3=[CH:9][CH:6]=[CH:5][CH:7]=[CH:10]3)=[O:37])[C@H:27]([O:41][C:30]([C:23]3=[CH:18][N:34]=[CH:16][CH:8]=[CH:11]3)=[O:38])[C@@:32]12[CH3:3] |
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