| Properties | Image |
|---|
| MNX_ID | MNXM1100346 |
 |
| reference | keggC:C20594 |
| formula | C42H59NO5 |
| global charge | 0 |
| mol weight | 657.936 |
| InChIKey | UGMIZDAXWBVEKZ-VBESAKQLSA-N |
| InChI | InChI=1S/C42H59NO5/c1-24(2)11-13-27-14-16-31-33(29(27)15-12-25(3)4)30-23-28-17-21-41(45)39(9,40(28,10)35(30)43-31)20-18-32-42(41)37(48-42)34(44)36(47-32)38(7,8)46-22-19-26(5)6/h11-12,14,16,19,28,32,34,36-37,43-45H,13,15,17-18,20-23H2,1-10H3/t28-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1 |
| SMILES | CC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C(NC6=CC=C(CC=C(C)C)C(CC=C(C)C)=C65)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C42H59NO5/c1-24(2)11-13-27-14-16-31-33(29(27)15-12-25(3)4)30-23-28-17-21-41(45)39(9,40(28,10)35(30)43-31)20-18-32-42(41)37(48-42)34(44)36(47-32)38(7,8)46-22-19-26(5)6/h11-12,14,16,19,28,32,34,36-37,43-45H,13,15,17-18,20-23H2,1-10H3/t28-,32-,34+,36-,37+,39+,40+,41-,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:24]([CH3:2])=[CH:11][CH2:13][C:27]1=[C:29]([CH2:15][CH:12]=[C:25]([CH3:3])[CH3:4])[C:33]2=[C:31]([CH:16]=[CH:14]1)[NH:43][C:35]1=[C:30]2[CH2:23][C@@H:28]2[CH2:17][CH2:21][C@:41]3([OH:45])[C@:39]([CH3:9])([CH2:20][CH2:18][C@H:32]4[C@:42]35[C@@H:37]([C@H:34]([OH:44])[C@@H:36]([C:38]([CH3:7])([CH3:8])[O:46][CH2:22][CH:19]=[C:26]([CH3:5])[CH3:6])[O:47]4)[O:48]5)[C@:40]21[CH3:10] |
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