| Properties | Image |
|---|
| MNX_ID | MNXM1193362 |
 |
| reference | envipathM:...795128be1fc6 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | WBQOSOXRDPOBEN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-4-6-8-9-10-11-12-13-14-15-17-24-31-45(59)55(64)58(68)71-43(41-70-57(67)46(60)32-25-20-21-27-36-50-52(74-50)39-51-49(73-51)33-7-5-2)40-69-54(63)37-29-19-16-18-26-34-47-48(72-47)35-28-22-23-30-42(3)44(56(65)66)38-53(61)62/h9-10,12-13,42-52,55,59-60,64H,4-8,11,14-41H2,1-3H3,(H,61,62)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-4-6-8-9-10-11-12-13-14-15-17-24-31-45(59)55(64)58(68)71-43(41-70-57(67)46(60)32-25-20-21-27-36-50-52(74-50)39-51-49(73-51)33-7-5-2)40-69-54(63)37-29-19-16-18-26-34-47-48(72-47)35-28-22-23-30-42(3)44(56(65)66)38-53(61)62/h9-10,12-13,42-52,55,59-60,64H,4-8,11,14-41H2,1-3H3,(H,61,62)(H,65,66)/b10-9?,13-12?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,55? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:17][CH2:24][CH2:31][CH:45]([CH:55]([C:58](=[O:68])[O:71][CH:43]([CH2:40][O:69][C:54]([CH2:37][CH2:29][CH2:19][CH2:16][CH2:18][CH2:26][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:28][CH2:22][CH2:23][CH2:30][CH:42]([CH3:3])[CH:44]([CH2:38][C:53](=[O:61])[OH:62])[C:56](=[O:65])[OH:66])[O:72]1)=[O:63])[CH2:41][O:70][C:57]([CH:46]([CH2:32][CH2:25][CH2:20][CH2:21][CH2:27][CH2:36][CH:50]1[CH:52]([CH2:39][CH:51]2[CH:49]([CH2:33][CH2:7][CH2:5][CH3:2])[O:73]2)[O:74]1)[OH:60])=[O:67])[OH:64])[OH:59] |
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