| Properties | Image |
|---|
| MNX_ID | MNXM1179099 |
 |
| reference | envipathM:...bb65ebc3f0b0 |
| formula | C58H98O16 |
| global charge | -2 |
| mol weight | 1051.406 |
| InChIKey | VQVDMWUXRHVVGL-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-39-54(64)72-45(43-71-53(63)38-28-21-16-18-26-35-48-50(73-48)41-51-49(74-51)36-30-31-40-59)42-70-52(62)37-27-20-15-17-24-33-46(60)47(61)34-25-22-23-32-44(2)55(57(66)67)56(65)58(68)69/h6-7,9-10,44-51,55-56,59-61,65H,3-5,8,11-43H2,1-2H3,(H,66,67)(H,68,69)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C58H100O16/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-39-54(64)72-45(43-71-53(63)38-28-21-16-18-26-35-48-50(73-48)41-51-49(74-51)36-30-31-40-59)42-70-52(62)37-27-20-15-17-24-33-46(60)47(61)34-25-22-23-32-44(2)55(57(66)67)56(65)58(68)69/h6-7,9-10,44-51,55-56,59-61,65H,3-5,8,11-43H2,1-2H3,(H,66,67)(H,68,69)/b7-6?,10-9?/t44?,45?,46?,47?,48?,49?,50?,51?,55?,56? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:6]=[CH:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:19][CH2:29][CH2:39][C:54](=[O:64])[O:72][CH:45]([CH2:42][O:70][C:52]([CH2:37][CH2:27][CH2:20][CH2:15][CH2:17][CH2:24][CH2:33][CH:46]([CH:47]([CH2:34][CH2:25][CH2:22][CH2:23][CH2:32][CH:44]([CH3:2])[CH:55]([CH:56]([C:58](=[O:68])[OH:69])[OH:65])[C:57](=[O:66])[OH:67])[OH:61])[OH:60])=[O:62])[CH2:43][O:71][C:53]([CH2:38][CH2:28][CH2:21][CH2:16][CH2:18][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:41][CH:51]2[CH:49]([CH2:36][CH2:30][CH2:31][CH2:40][OH:59])[O:74]2)[O:73]1)=[O:63] |
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