| Properties | Image |
|---|
| MNX_ID | MNXM1139123 |
 |
| reference | envipathM:...c98332503e69 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | COIISCIVHAGAJG-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-4-6-7-13-21-33-47(60)48(61)34-22-15-11-18-24-36-54(65)70-41-45(42-71-55(66)37-25-19-12-16-23-35-50-51(73-50)40-52-57(74-52)49(62)29-5-2)72-56(67)38-26-17-10-8-9-14-20-31-44(59)32-28-27-30-43(3)46(58(68)69)39-53(63)64/h13,20-21,31,43-52,57,59-62H,4-12,14-19,22-30,32-42H2,1-3H3,(H,63,64)(H,68,69)/p-2 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CC(O)CCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-4-6-7-13-21-33-47(60)48(61)34-22-15-11-18-24-36-54(65)70-41-45(42-71-55(66)37-25-19-12-16-23-35-50-51(73-50)40-52-57(74-52)49(62)29-5-2)72-56(67)38-26-17-10-8-9-14-20-31-44(59)32-28-27-30-43(3)46(58(68)69)39-53(63)64/h13,20-21,31,43-52,57,59-62H,4-12,14-19,22-30,32-42H2,1-3H3,(H,63,64)(H,68,69)/b21-13?,31-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:7][CH:13]=[CH:21][CH2:33][CH:47]([CH:48]([CH2:34][CH2:22][CH2:15][CH2:11][CH2:18][CH2:24][CH2:36][C:54](=[O:65])[O:70][CH2:41][CH:45]([CH2:42][O:71][C:55]([CH2:37][CH2:25][CH2:19][CH2:12][CH2:16][CH2:23][CH2:35][CH:50]1[CH:51]([CH2:40][CH:52]2[CH:57]([CH:49]([CH2:29][CH2:5][CH3:2])[OH:62])[O:74]2)[O:73]1)=[O:66])[O:72][C:56]([CH2:38][CH2:26][CH2:17][CH2:10][CH2:8][CH2:9][CH2:14][CH:20]=[CH:31][CH:44]([CH2:32][CH2:28][CH2:27][CH2:30][CH:43]([CH3:3])[CH:46]([CH2:39][C:53](=[O:63])[OH:64])[C:58](=[O:68])[OH:69])[OH:59])=[O:67])[OH:61])[OH:60] |
|