| Properties | Image |
|---|
| MNX_ID | MNXM108754 |
 |
| reference | chebi:66450 |
| formula | C30H41NO8 |
| global charge | 0 |
| mol weight | 543.657 |
| InChIKey | QKISVSHUNJJKNY-CZIZJKDCSA-N |
| InChI | InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m1/s1 |
| SMILES | CCO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(=O)C4=CC=CN=C4)[C@]4(COC(C)=O)[C@@H]3CCC[C@]43CO3)O[C@@H]2O1 |
MNX internals
| InChI (mnx) | InChI=1/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][O:34][C@@H:25]1[CH2:14][C@@H:21]2[CH2:13][C@@H:23]([C@@:28]3([CH3:4])[C@H:18]([CH3:2])[CH2:12][C@H:24]([O:37][C:26]([C:20]4=[CH:15][N:31]=[CH:11][CH:7]=[CH:8]4)=[O:33])[C@:30]4([CH2:17][O:35][C:19]([CH3:3])=[O:32])[C@@H:22]3[CH2:9][CH2:6][CH2:10][C@:29]43[CH2:16][O:36]3)[O:38][C@@H:27]2[O:39]1 |
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