| Properties | Image |
|---|
| MNX_ID | MNXM1175374 |
 |
| reference | envipathM:...4ebc5617f4b3 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | XPLLEJVFLRXQGW-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-32-47(61)58(68)71-44(42-70-55(65)37-29-21-16-19-26-35-50-51(73-50)39-52-56(74-52)46(60)30-4-2)41-69-54(64)36-28-20-15-18-25-33-48-49(72-48)34-27-22-23-31-43(40-59)45(57(66)67)38-53(62)63/h7-8,10-11,43-52,56,59-61H,3-6,9,12-42H2,1-2H3,(H,62,63)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(CO)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-32-47(61)58(68)71-44(42-70-55(65)37-29-21-16-19-26-35-50-51(73-50)39-52-56(74-52)46(60)30-4-2)41-69-54(64)36-28-20-15-18-25-33-48-49(72-48)34-27-22-23-31-43(40-59)45(57(66)67)38-53(62)63/h7-8,10-11,43-52,56,59-61H,3-6,9,12-42H2,1-2H3,(H,62,63)(H,66,67)/b8-7?,11-10?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,56? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:17][CH2:24][CH2:32][CH:47]([C:58](=[O:68])[O:71][CH:44]([CH2:41][O:69][C:54]([CH2:36][CH2:28][CH2:20][CH2:15][CH2:18][CH2:25][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:27][CH2:22][CH2:23][CH2:31][CH:43]([CH2:40][OH:59])[CH:45]([CH2:38][C:53](=[O:62])[OH:63])[C:57](=[O:66])[OH:67])[O:72]1)=[O:64])[CH2:42][O:70][C:55]([CH2:37][CH2:29][CH2:21][CH2:16][CH2:19][CH2:26][CH2:35][CH:50]1[CH:51]([CH2:39][CH:52]2[CH:56]([CH:46]([CH2:30][CH2:4][CH3:2])[OH:60])[O:74]2)[O:73]1)=[O:65])[OH:61] |
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