| Properties | Image |
|---|
| MNX_ID | MNXM1137974 |
 |
| reference | envipathM:...0882db5e5088 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | JVOUXHXPSUNULE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-17-26-34-47-48(72-47)35-27-21-19-24-31-45(59)56(66)69-41-43(42-70-57(67)46(60)32-25-20-22-28-36-50-52(74-50)40-51-49(73-51)33-7-5-2)71-54(63)37-29-18-15-13-11-9-10-12-14-16-23-30-38-58(3,68)44(55(64)65)39-53(61)62/h10,12,17,26,43-52,59-60,68H,4-9,11,13-16,18-25,27-42H2,1-3H3,(H,61,62)(H,64,65)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(C)(O)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-17-26-34-47-48(72-47)35-27-21-19-24-31-45(59)56(66)69-41-43(42-70-57(67)46(60)32-25-20-22-28-36-50-52(74-50)40-51-49(73-51)33-7-5-2)71-54(63)37-29-18-15-13-11-9-10-12-14-16-23-30-38-58(3,68)44(55(64)65)39-53(61)62/h10,12,17,26,43-52,59-60,68H,4-9,11,13-16,18-25,27-42H2,1-3H3,(H,61,62)(H,64,65)/b12-10?,26-17?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,58? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:17]=[CH:26][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:27][CH2:21][CH2:19][CH2:24][CH2:31][CH:45]([C:56](=[O:66])[O:69][CH2:41][CH:43]([CH2:42][O:70][C:57]([CH:46]([CH2:32][CH2:25][CH2:20][CH2:22][CH2:28][CH2:36][CH:50]2[CH:52]([CH2:40][CH:51]3[CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[O:73]3)[O:74]2)[OH:60])=[O:67])[O:71][C:54]([CH2:37][CH2:29][CH2:18][CH2:15][CH2:13][CH2:11][CH2:9][CH:10]=[CH:12][CH2:14][CH2:16][CH2:23][CH2:30][CH2:38][C:58]([CH3:3])([CH:44]([CH2:39][C:53](=[O:61])[OH:62])[C:55](=[O:64])[OH:65])[OH:68])=[O:63])[OH:59])[O:72]1 |
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