| Properties | Image |
|---|
| MNX_ID | MNXM1138102 |
 |
| reference | envipathM:...0552d83bf87f |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | DMHBLBPFTKHAGR-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-5-32-48-51(72-48)39-52-49(73-52)33-23-14-12-16-25-35-54(64)69-41-45(71-56(66)37-27-15-11-9-7-6-8-10-13-21-30-44(60)28-4-2)42-70-55(65)36-26-18-17-22-31-47(61)57-50(74-57)34-24-19-20-29-43(40-59)46(58(67)68)38-53(62)63/h8,10,21,30,43-52,57,59-61H,3-7,9,11-20,22-29,31-42H2,1-2H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CCCCCC(CO)C(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-5-32-48-51(72-48)39-52-49(73-52)33-23-14-12-16-25-35-54(64)69-41-45(71-56(66)37-27-15-11-9-7-6-8-10-13-21-30-44(60)28-4-2)42-70-55(65)36-26-18-17-22-31-47(61)57-50(74-57)34-24-19-20-29-43(40-59)46(58(67)68)38-53(62)63/h8,10,21,30,43-52,57,59-61H,3-7,9,11-20,22-29,31-42H2,1-2H3,(H,62,63)(H,67,68)/b10-8?,30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:51]([CH2:39][CH:52]2[CH:49]([CH2:33][CH2:23][CH2:14][CH2:12][CH2:16][CH2:25][CH2:35][C:54](=[O:64])[O:69][CH2:41][CH:45]([CH2:42][O:70][C:55]([CH2:36][CH2:26][CH2:18][CH2:17][CH2:22][CH2:31][CH:47]([CH:57]3[CH:50]([CH2:34][CH2:24][CH2:19][CH2:20][CH2:29][CH:43]([CH2:40][OH:59])[CH:46]([CH2:38][C:53](=[O:62])[OH:63])[C:58](=[O:67])[OH:68])[O:74]3)[OH:61])=[O:65])[O:71][C:56]([CH2:37][CH2:27][CH2:15][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:13][CH:21]=[CH:30][CH:44]([CH2:28][CH2:4][CH3:2])[OH:60])=[O:66])[O:73]2)[O:72]1 |
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