| Properties | Image |
|---|
| MNX_ID | MNXM53365 |
 |
| reference | chebi:5061 |
| formula | C33H46N2O10 |
| global charge | 0 |
| mol weight | 630.735 |
| InChIKey | IUJWSEFNAUXHTB-PEOOALOTSA-N |
| InChI | InChI=1S/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24+,25+,27?,28+,29-,30+,31-,32+,33+/m1/s1 |
| SMILES | CCN1C[C@]2(COC(=O)C3=C(NC(C)=O)C=CC=C3)CC[C@H](OC)[C@]34C1[C@](O)(C[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC |
MNX internals
| InChI (mnx) | InChI=1/C33H46N2O10/c1-6-35-16-28(17-45-26(37)19-9-7-8-10-21(19)34-18(2)36)12-11-24(43-4)32-23(28)15-29(38,27(32)35)30(39)14-22(42-3)20-13-31(32,40)33(30,41)25(20)44-5/h7-10,20,22-25,27,38-41H,6,11-17H2,1-5H3,(H,34,36)/t20-,22+,23-,24+,25+,27?,28+,29-,30+,31-,32+,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][N:35]1[CH2:16][C@:28]2([CH2:17][O:45][C:26]([C:19]3=[CH:9][CH:7]=[CH:8][CH:10]=[C:21]3[N:34]=[C:18]([CH3:2])[OH:36])=[O:37])[CH2:12][CH2:11][C@H:24]([O:43][CH3:4])[C@@:32]34[C@@H:23]2[CH2:15][C@@:29]([OH:38])([CH:27]31)[C@@:30]1([OH:39])[CH2:14][C@H:22]([O:42][CH3:3])[C@H:20]2[CH2:13][C@:31]4([OH:40])[C@:33]1([OH:41])[C@H:25]2[O:44][CH3:5] |
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