| Properties | Image |
|---|
| MNX_ID | MNXM1175857 |
 |
| reference | envipathM:...1e187a949aca |
| formula | C58H98O15 |
| global charge | -2 |
| mol weight | 1035.407 |
| InChIKey | NKPHGZYACZRGGO-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H100O15/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-56(65)70-45(43-69-55(64)37-29-22-17-19-26-35-50-51(72-50)40-52-57(73-52)47(60)31-4-2)42-68-54(63)36-28-21-16-18-25-33-48-49(71-48)34-27-23-24-32-44(41-59)46(58(66)67)39-53(61)62/h10-11,44-52,57,59-60H,3-9,12-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(CO)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H100O15/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-56(65)70-45(43-69-55(64)37-29-22-17-19-26-35-50-51(72-50)40-52-57(73-52)47(60)31-4-2)42-68-54(63)36-28-21-16-18-25-33-48-49(71-48)34-27-23-24-32-44(41-59)46(58(66)67)39-53(61)62/h10-11,44-52,57,59-60H,3-9,12-43H2,1-2H3,(H,61,62)(H,66,67)/b11-10?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:30][CH2:38][C:56](=[O:65])[O:70][CH:45]([CH2:42][O:68][C:54]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:18][CH2:25][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:27][CH2:23][CH2:24][CH2:32][CH:44]([CH2:41][OH:59])[CH:46]([CH2:39][C:53](=[O:61])[OH:62])[C:58](=[O:66])[OH:67])[O:71]1)=[O:63])[CH2:43][O:69][C:55]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:35][CH:50]1[CH:51]([CH2:40][CH:52]2[CH:57]([CH:47]([CH2:31][CH2:4][CH3:2])[OH:60])[O:73]2)[O:72]1)=[O:64] |
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