| Properties | Image |
|---|
| MNX_ID | MNXM1194010 |
 |
| reference | envipathM:...7528607dde74 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | WAKFGCAACZVOHN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-3-5-7-17-25-32-47(60)57(67)48(61)33-26-22-23-29-37-55(65)71-43-45(42-70-54(64)36-28-21-16-19-27-35-50-52(74-50)40-51-49(73-51)34-6-4-2)72-56(66)38-30-20-15-13-11-9-8-10-12-14-18-24-31-44(41-59)46(58(68)69)39-53(62)63/h8,10,17,25,44-52,57,59-61,67H,3-7,9,11-16,18-24,26-43H2,1-2H3,(H,62,63)(H,68,69)/p-2 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCC(CO)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-3-5-7-17-25-32-47(60)57(67)48(61)33-26-22-23-29-37-55(65)71-43-45(42-70-54(64)36-28-21-16-19-27-35-50-52(74-50)40-51-49(73-51)34-6-4-2)72-56(66)38-30-20-15-13-11-9-8-10-12-14-18-24-31-44(41-59)46(58(68)69)39-53(62)63/h8,10,17,25,44-52,57,59-61,67H,3-7,9,11-16,18-24,26-43H2,1-2H3,(H,62,63)(H,68,69)/b10-8?,25-17?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:25][CH2:32][CH:47]([CH:57]([CH:48]([CH2:33][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][C:55](=[O:65])[O:71][CH2:43][CH:45]([CH2:42][O:70][C:54]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:27][CH2:35][CH:50]1[CH:52]([CH2:40][CH:51]2[CH:49]([CH2:34][CH2:6][CH2:4][CH3:2])[O:73]2)[O:74]1)=[O:64])[O:72][C:56]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH:8]=[CH:10][CH2:12][CH2:14][CH2:18][CH2:24][CH2:31][CH:44]([CH2:41][OH:59])[CH:46]([CH2:39][C:53](=[O:62])[OH:63])[C:58](=[O:68])[OH:69])=[O:66])[OH:61])[OH:67])[OH:60] |
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