| Properties | Image |
|---|
| MNX_ID | MNXM1192949 |
 |
| reference | envipathM:...826e898e7ecb |
| formula | C58H96O15 |
| global charge | -2 |
| mol weight | 1033.391 |
| InChIKey | ZQYKFJQLNDWTKG-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O15/c1-3-4-5-23-32-47(60)57-50(73-57)35-25-18-15-21-27-37-55(64)69-43-45(42-68-54(63)36-26-20-14-17-24-33-48-51(71-48)41-52-49(72-52)34-29-30-39-59)70-56(65)38-28-19-13-11-9-7-6-8-10-12-16-22-31-44(2)46(58(66)67)40-53(61)62/h6,8,23,32,44-52,57,59-60H,3-5,7,9-22,24-31,33-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O15/c1-3-4-5-23-32-47(60)57-50(73-57)35-25-18-15-21-27-37-55(64)69-43-45(42-68-54(63)36-26-20-14-17-24-33-48-51(71-48)41-52-49(72-52)34-29-30-39-59)70-56(65)38-28-19-13-11-9-7-6-8-10-12-16-22-31-44(2)46(58(66)67)40-53(61)62/h6,8,23,32,44-52,57,59-60H,3-5,7,9-22,24-31,33-43H2,1-2H3,(H,61,62)(H,66,67)/b8-6?,32-23?/t44?,45?,46?,47?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:23]=[CH:32][CH:47]([CH:57]1[CH:50]([CH2:35][CH2:25][CH2:18][CH2:15][CH2:21][CH2:27][CH2:37][C:55](=[O:64])[O:69][CH2:43][CH:45]([CH2:42][O:68][C:54]([CH2:36][CH2:26][CH2:20][CH2:14][CH2:17][CH2:24][CH2:33][CH:48]2[CH:51]([CH2:41][CH:52]3[CH:49]([CH2:34][CH2:29][CH2:30][CH2:39][OH:59])[O:72]3)[O:71]2)=[O:63])[O:70][C:56]([CH2:38][CH2:28][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:16][CH2:22][CH2:31][CH:44]([CH3:2])[CH:46]([CH2:40][C:53](=[O:61])[OH:62])[C:58](=[O:66])[OH:67])=[O:65])[O:73]1)[OH:60] |
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