| Properties | Image |
|---|
| MNX_ID | MNXM1367299 |
 |
| reference | chebi:80203 |
| formula | C59H90O7 |
| global charge | 0 |
| mol weight | 911.362 |
| InChIKey | JEEGARLDXJKPPW-LTDAZHCASA-N |
| InChI | InChI=1S/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57?/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OC3O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)CCC1 |
MNX internals
| InChI (mnx) | InChI=1/C59H90O7/c1-42(2)25-18-16-14-13-15-17-19-33-53(60)64-41-52-54(61)55(62)56(63)57(66-52)65-49-39-48(8)51(59(11,12)40-49)37-35-46(6)31-23-29-44(4)27-21-20-26-43(3)28-22-30-45(5)34-36-50-47(7)32-24-38-58(50,9)10/h20-23,26-31,34-37,42,49,52,54-57,61-63H,13-19,24-25,32-33,38-41H2,1-12H3/b21-20+,28-22+,29-23+,36-34+,37-35+,43-26+,44-27+,45-30+,46-31+/t49-,52-,54-,55+,56-,57?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:42]([CH3:2])[CH2:25][CH2:18][CH2:16][CH2:14][CH2:13][CH2:15][CH2:17][CH2:19][CH2:33][C:53](=[O:60])[O:64][CH2:41][C@@H:52]1[C@@H:54]([OH:61])[C@H:55]([OH:62])[C@@H:56]([OH:63])[CH:57]([O:65][C@@H:49]2[CH2:39][C:48]([CH3:8])=[C:51](/[CH:37]=[CH:35]/[C:46]([CH3:6])=[CH:31]/[CH:23]=[CH:29]/[C:44]([CH3:4])=[CH:27]/[CH:21]=[CH:20]/[CH:26]=[C:43]([CH3:3])/[CH:28]=[CH:22]/[CH:30]=[C:45]([CH3:5])/[CH:34]=[CH:36]/[C:50]3=[C:47]([CH3:7])[CH2:32][CH2:24][CH2:38][C:58]3([CH3:9])[CH3:10])[C:59]([CH3:11])([CH3:12])[CH2:40]2)[O:66]1 |
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