| Properties | Image |
|---|
| MNX_ID | MNXM1174868 |
 |
| reference | envipathM:...9dcb59c5938e |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | STQIDALZSIEOEZ-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-4-6-8-13-22-34-48-49(71-48)35-23-16-11-18-25-37-55(63)68-41-45(42-69-56(64)38-26-19-12-17-24-36-51-53(73-51)40-52-50(72-52)33-7-5-2)70-58(67)47(60)32-21-15-10-9-14-20-30-44(59)31-28-27-29-43(3)46(57(65)66)39-54(61)62/h13,20,22,30,43-53,59-60H,4-12,14-19,21,23-29,31-42H2,1-3H3,(H,61,62)(H,65,66)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CC(O)CCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-4-6-8-13-22-34-48-49(71-48)35-23-16-11-18-25-37-55(63)68-41-45(42-69-56(64)38-26-19-12-17-24-36-51-53(73-51)40-52-50(72-52)33-7-5-2)70-58(67)47(60)32-21-15-10-9-14-20-30-44(59)31-28-27-29-43(3)46(57(65)66)39-54(61)62/h13,20,22,30,43-53,59-60H,4-12,14-19,21,23-29,31-42H2,1-3H3,(H,61,62)(H,65,66)/b22-13?,30-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:13]=[CH:22][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:23][CH2:16][CH2:11][CH2:18][CH2:25][CH2:37][C:55](=[O:63])[O:68][CH2:41][CH:45]([CH2:42][O:69][C:56]([CH2:38][CH2:26][CH2:19][CH2:12][CH2:17][CH2:24][CH2:36][CH:51]2[CH:53]([CH2:40][CH:52]3[CH:50]([CH2:33][CH2:7][CH2:5][CH3:2])[O:72]3)[O:73]2)=[O:64])[O:70][C:58]([CH:47]([CH2:32][CH2:21][CH2:15][CH2:10][CH2:9][CH2:14][CH:20]=[CH:30][CH:44]([CH2:31][CH2:28][CH2:27][CH2:29][CH:43]([CH3:3])[CH:46]([CH2:39][C:54](=[O:61])[OH:62])[C:57](=[O:65])[OH:66])[OH:59])[OH:60])=[O:67])[O:71]1 |
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