| Properties | Image |
|---|
| MNX_ID | MNXM1100332 |
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| reference | keggC:C20551 |
| formula | C42H55NO7 |
| global charge | 0 |
| mol weight | 685.902 |
| InChIKey | HGBZMCXKHKZYBF-WZGHVFPCSA-N |
| InChI | InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 |
| SMILES | CC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)CC[C@H]4CC5=C(NC6=CC=C7C(=O)[C@@H]8[C@@H](CC7=C65)C(C)(C)OC8(C)C)[C@@]43C)O[C@@H]2C(C)(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:17][C@H:28]1[O:47][C@@H:32]2[C@@H:34]([C:38]([CH3:7])([CH3:8])[O:48]1)[O:46][C@H:27]1[CH2:14][CH2:15][C@:39]3([CH3:9])[C@:40]4([CH3:10])[C@@H:21]([CH2:13][CH2:16][C@@:41]3([OH:45])[C@@:42]13[C@@H:35]2[O:49]3)[CH2:18][C:24]1=[C:33]4[NH:43][C:26]2=[C:29]1[C:23]1=[C:22]([CH:11]=[CH:12]2)[C:31](=[O:44])[C@@H:30]2[C@@H:25]([CH2:19]1)[C:36]([CH3:3])([CH3:4])[O:50][C:37]2([CH3:5])[CH3:6] |
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