| Properties | Image |
|---|
| MNX_ID | MNXM1180985 |
 |
| reference | envipathM:...c29ed02d27a7 |
| formula | C58H100O16 |
| global charge | -2 |
| mol weight | 1053.422 |
| InChIKey | KRAVWZNZZCODTC-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H102O16/c1-4-6-8-9-10-11-12-13-14-15-16-19-27-36-50(62)58(70)73-45(43-72-56(67)39-31-23-18-21-29-37-52-53(74-52)41-51(63)49(61)33-7-5-2)42-71-55(66)38-30-22-17-20-26-34-47(59)48(60)35-28-24-25-32-44(3)46(57(68)69)40-54(64)65/h9-10,12-13,44-53,59-63H,4-8,11,14-43H2,1-3H3,(H,64,65)(H,68,69)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H102O16/c1-4-6-8-9-10-11-12-13-14-15-16-19-27-36-50(62)58(70)73-45(43-72-56(67)39-31-23-18-21-29-37-52-53(74-52)41-51(63)49(61)33-7-5-2)42-71-55(66)38-30-22-17-20-26-34-47(59)48(60)35-28-24-25-32-44(3)46(57(68)69)40-54(64)65/h9-10,12-13,44-53,59-63H,4-8,11,14-43H2,1-3H3,(H,64,65)(H,68,69)/b10-9?,13-12?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:27][CH2:36][CH:50]([C:58](=[O:70])[O:73][CH:45]([CH2:42][O:71][C:55]([CH2:38][CH2:30][CH2:22][CH2:17][CH2:20][CH2:26][CH2:34][CH:47]([CH:48]([CH2:35][CH2:28][CH2:24][CH2:25][CH2:32][CH:44]([CH3:3])[CH:46]([CH2:40][C:54](=[O:64])[OH:65])[C:57](=[O:68])[OH:69])[OH:60])[OH:59])=[O:66])[CH2:43][O:72][C:56]([CH2:39][CH2:31][CH2:23][CH2:18][CH2:21][CH2:29][CH2:37][CH:52]1[CH:53]([CH2:41][CH:51]([CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[OH:61])[OH:63])[O:74]1)=[O:67])[OH:62] |
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