| Properties | Image |
|---|
| MNX_ID | MNXM1197119 |
 |
| reference | envipathM:...ebca3c35eea9 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | DEJMGSMOFDWWAE-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-55(65)71-44(42-70-58(68)47(61)32-25-22-24-31-46(60)56-52(74-56)39-51-50(73-51)33-6-4-2)41-69-54(64)36-28-20-17-18-26-34-48-49(72-48)35-27-21-23-30-43(40-59)45(57(66)67)38-53(62)63/h8-9,11-12,43-52,56,59-61H,3-7,10,13-42H2,1-2H3,(H,62,63)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(CO)C(CC(=O)[O-])C(=O)[O-])COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-55(65)71-44(42-70-58(68)47(61)32-25-22-24-31-46(60)56-52(74-56)39-51-50(73-51)33-6-4-2)41-69-54(64)36-28-20-17-18-26-34-48-49(72-48)35-27-21-23-30-43(40-59)45(57(66)67)38-53(62)63/h8-9,11-12,43-52,56,59-61H,3-7,10,13-42H2,1-2H3,(H,62,63)(H,66,67)/b9-8?,12-11?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,56? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:29][CH2:37][C:55](=[O:65])[O:71][CH:44]([CH2:41][O:69][C:54]([CH2:36][CH2:28][CH2:20][CH2:17][CH2:18][CH2:26][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:27][CH2:21][CH2:23][CH2:30][CH:43]([CH2:40][OH:59])[CH:45]([CH2:38][C:53](=[O:62])[OH:63])[C:57](=[O:66])[OH:67])[O:72]1)=[O:64])[CH2:42][O:70][C:58]([CH:47]([CH2:32][CH2:25][CH2:22][CH2:24][CH2:31][CH:46]([CH:56]1[CH:52]([CH2:39][CH:51]2[CH:50]([CH2:33][CH2:6][CH2:4][CH3:2])[O:73]2)[O:74]1)[OH:60])[OH:61])=[O:68] |
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