| Properties | Image |
|---|
| MNX_ID | MNXM1177318 |
 |
| reference | envipathM:...f8fc6066e438 |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | LYHCTXXUUUILAR-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-39-55(64)70-45(42-68-53(62)37-27-23-18-20-25-35-48-51(72-48)40-50-47(71-50)34-7-5-2)43-69-54(63)38-28-24-19-21-26-36-49-56(73-49)46(59)33-31-30-32-44(3)58(67,57(65)66)41-52(60)61/h9-10,12-13,44-51,56,59,67H,4-8,11,14-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)CCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-39-55(64)70-45(42-68-53(62)37-27-23-18-20-25-35-48-51(72-48)40-50-47(71-50)34-7-5-2)43-69-54(63)38-28-24-19-21-26-36-49-56(73-49)46(59)33-31-30-32-44(3)58(67,57(65)66)41-52(60)61/h9-10,12-13,44-51,56,59,67H,4-8,11,14-43H2,1-3H3,(H,60,61)(H,65,66)/b10-9?,13-12?/t44?,45?,46?,47?,48?,49?,50?,51?,56?,58? |
 |
| 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][CH2:17][CH2:22][CH2:29][CH2:39][C:55](=[O:64])[O:70][CH:45]([CH2:42][O:68][C:53]([CH2:37][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:35][CH:48]1[CH:51]([CH2:40][CH:50]2[CH:47]([CH2:34][CH2:7][CH2:5][CH3:2])[O:71]2)[O:72]1)=[O:62])[CH2:43][O:69][C:54]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:36][CH:49]1[CH:56]([CH:46]([CH2:33][CH2:31][CH2:30][CH2:32][CH:44]([CH3:3])[C:58]([CH2:41][C:52](=[O:60])[OH:61])([C:57](=[O:65])[OH:66])[OH:67])[OH:59])[O:73]1)=[O:63] |
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