| Properties | Image |
|---|
| MNX_ID | MNXM1180150 |
 |
| reference | envipathM:...5e651d236b3b |
| formula | C62H100O18 |
| global charge | -4 |
| mol weight | 1133.464 |
| InChIKey | AHPJHRAWGCSBSD-UHFFFAOYSA-J |
| InChI | InChI=1S/C62H104O18/c1-4-5-33-51-53(79-51)41-54-52(80-54)36-26-18-15-21-29-38-58(68)76-44-47(77-59(69)39-30-19-13-11-9-7-6-8-10-12-16-23-31-45(2)48(60(70)71)40-55(63)64)43-75-57(67)37-28-20-14-17-25-34-49-50(78-49)35-27-22-24-32-46(3)62(74,61(72)73)42-56(65)66/h6,8,45-54,74H,4-5,7,9-44H2,1-3H3,(H,63,64)(H,65,66)(H,70,71)(H,72,73)/p-4 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C62H104O18/c1-4-5-33-51-53(79-51)41-54-52(80-54)36-26-18-15-21-29-38-58(68)76-44-47(77-59(69)39-30-19-13-11-9-7-6-8-10-12-16-23-31-45(2)48(60(70)71)40-55(63)64)43-75-57(67)37-28-20-14-17-25-34-49-50(78-49)35-27-22-24-32-46(3)62(74,61(72)73)42-56(65)66/h6,8,45-54,74H,4-5,7,9-44H2,1-3H3,(H,63,64)(H,65,66)(H,70,71)(H,72,73)/b8-6?/t45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,62? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:33][CH:51]1[CH:53]([CH2:41][CH:54]2[CH:52]([CH2:36][CH2:26][CH2:18][CH2:15][CH2:21][CH2:29][CH2:38][C:58](=[O:68])[O:76][CH2:44][CH:47]([CH2:43][O:75][C:57]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:17][CH2:25][CH2:34][CH:49]3[CH:50]([CH2:35][CH2:27][CH2:22][CH2:24][CH2:32][CH:46]([CH3:3])[C:62]([CH2:42][C:56](=[O:65])[OH:66])([C:61](=[O:72])[OH:73])[OH:74])[O:78]3)=[O:67])[O:77][C:59]([CH2:39][CH2:30][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:16][CH2:23][CH2:31][CH:45]([CH3:2])[CH:48]([CH2:40][C:55](=[O:63])[OH:64])[C:60](=[O:70])[OH:71])=[O:69])[O:80]2)[O:79]1 |
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