| Properties | Image |
|---|
| MNX_ID | MNXM1186723 |
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| reference | envipathM:...26c20afe0ea5 |
| formula | C58H96O14 |
| global charge | -2 |
| mol weight | 1017.392 |
| InChIKey | AEPMHZPPEPSSSN-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O14/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-31-39-56(64)69-45(43-68-55(63)38-30-23-22-26-33-47(59)57-52(72-57)41-51-50(71-51)34-7-5-2)42-67-54(62)37-29-21-18-19-27-35-48-49(70-48)36-28-24-25-32-44(3)46(58(65)66)40-53(60)61/h12-13,44-46,48-52,57H,4-11,14-43H2,1-3H3,(H,60,61)(H,65,66)/p-2 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-])COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H98O14/c1-4-6-8-9-10-11-12-13-14-15-16-17-20-31-39-56(64)69-45(43-68-55(63)38-30-23-22-26-33-47(59)57-52(72-57)41-51-50(71-51)34-7-5-2)42-67-54(62)37-29-21-18-19-27-35-48-49(70-48)36-28-24-25-32-44(3)46(58(65)66)40-53(60)61/h12-13,44-46,48-52,57H,4-11,14-43H2,1-3H3,(H,60,61)(H,65,66)/b13-12?/t44?,45?,46?,48?,49?,50?,51?,52?,57? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:31][CH2:39][C:56](=[O:64])[O:69][CH:45]([CH2:42][O:67][C:54]([CH2:37][CH2:29][CH2:21][CH2:18][CH2:19][CH2:27][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:28][CH2:24][CH2:25][CH2:32][CH:44]([CH3:3])[CH:46]([CH2:40][C:53](=[O:60])[OH:61])[C:58](=[O:65])[OH:66])[O:70]1)=[O:62])[CH2:43][O:68][C:55]([CH2:38][CH2:30][CH2:23][CH2:22][CH2:26][CH2:33][C:47]([CH:57]1[CH:52]([CH2:41][CH:51]2[CH:50]([CH2:34][CH2:7][CH2:5][CH3:2])[O:71]2)[O:72]1)=[O:59])=[O:63] |
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