| Properties | Image |
|---|
| MNX_ID | MNXM1178403 |
 |
| reference | envipathM:...dce082f082a0 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | RNSRDWFRXJNHBN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-31-50-52(73-50)40-53-51(74-53)33-18-12-9-15-20-36-56(65)70-42-46(41-69-55(64)35-19-14-8-11-17-32-48-49(72-48)34-24-29-45(61)30-25-38-59)71-57(66)37-21-13-7-5-6-10-16-27-44(60)28-23-22-26-43(2)47(58(67)68)39-54(62)63/h16,24,27,29,43-53,59-61H,3-15,17-23,25-26,28,30-42H2,1-2H3,(H,62,63)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO)OC(=O)CCCCCCCC=CC(O)CCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-31-50-52(73-50)40-53-51(74-53)33-18-12-9-15-20-36-56(65)70-42-46(41-69-55(64)35-19-14-8-11-17-32-48-49(72-48)34-24-29-45(61)30-25-38-59)71-57(66)37-21-13-7-5-6-10-16-27-44(60)28-23-22-26-43(2)47(58(67)68)39-54(62)63/h16,24,27,29,43-53,59-61H,3-15,17-23,25-26,28,30-42H2,1-2H3,(H,62,63)(H,67,68)/b27-16?,29-24?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:31][CH:50]1[CH:52]([CH2:40][CH:53]2[CH:51]([CH2:33][CH2:18][CH2:12][CH2:9][CH2:15][CH2:20][CH2:36][C:56](=[O:65])[O:70][CH2:42][CH:46]([CH2:41][O:69][C:55]([CH2:35][CH2:19][CH2:14][CH2:8][CH2:11][CH2:17][CH2:32][CH:48]3[CH:49]([CH2:34][CH:24]=[CH:29][CH:45]([CH2:30][CH2:25][CH2:38][OH:59])[OH:61])[O:72]3)=[O:64])[O:71][C:57]([CH2:37][CH2:21][CH2:13][CH2:7][CH2:5][CH2:6][CH2:10][CH:16]=[CH:27][CH:44]([CH2:28][CH2:23][CH2:22][CH2:26][CH:43]([CH3:2])[CH:47]([CH2:39][C:54](=[O:62])[OH:63])[C:58](=[O:67])[OH:68])[OH:60])=[O:66])[O:74]2)[O:73]1 |
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