| Properties | Image |
|---|
| MNX_ID | MNXM48970 |
 |
| reference | chebi:4384 |
| formula | C33H45NO9 |
| global charge | 0 |
| mol weight | 599.721 |
| InChIKey | REVYTWNGZDPRKE-UWZYQZSNSA-N |
| InChI | InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1 |
| SMILES | COC[C@@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]3(O)C[C@@H]4[C@@H]1[C@H]3OC(=O)C1=CC=CC=C1)N(C)C2 |
MNX internals
| InChI (mnx) | InChI=1/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27?,28-,30+,31+,32-,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18](=[O:35])[O:43][C@:32]12[CH2:15][C@H:22]([O:40][CH3:5])[C@@:31]3([OH:37])[CH2:14][C@H:20]([C@@H:23]1[C@H:28]3[O:42][C:29]([C:19]1=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]1)=[O:36])[C@@:33]13[C@@H:21]([O:39][CH3:4])[CH2:12][CH2:13][C@@:30]4([CH2:17][O:38][CH3:3])[CH2:16][N:34]([CH3:2])[CH:27]1[C@@H:24]2[C@H:25]([O:41][CH3:6])[C@H:26]43 |
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