| Properties | Image |
|---|
| MNX_ID | MNXM1194541 |
 |
| reference | envipathM:...50c9ba9c32bc |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | DBZIYBSZOGQPMX-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-33-46-49(72-46)40-50-47(73-50)34-25-16-15-18-27-36-51(61)69-41-44(71-53(63)38-29-17-13-11-9-7-5-6-8-10-12-14-21-30-39-59)42-70-52(62)37-28-20-19-24-32-45(60)56-48(74-56)35-26-22-23-31-43(2)54(57(65)66)55(64)58(67)68/h5-6,10,12,43-50,54-56,59-60,64H,3-4,7-9,11,13-42H2,1-2H3,(H,65,66)(H,67,68)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-33-46-49(72-46)40-50-47(73-50)34-25-16-15-18-27-36-51(61)69-41-44(71-53(63)38-29-17-13-11-9-7-5-6-8-10-12-14-21-30-39-59)42-70-52(62)37-28-20-19-24-32-45(60)56-48(74-56)35-26-22-23-31-43(2)54(57(65)66)55(64)58(67)68/h5-6,10,12,43-50,54-56,59-60,64H,3-4,7-9,11,13-42H2,1-2H3,(H,65,66)(H,67,68)/b6-5?,12-10?/t43?,44?,45?,46?,47?,48?,49?,50?,54?,55?,56? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:33][CH:46]1[CH:49]([CH2:40][CH:50]2[CH:47]([CH2:34][CH2:25][CH2:16][CH2:15][CH2:18][CH2:27][CH2:36][C:51](=[O:61])[O:69][CH2:41][CH:44]([CH2:42][O:70][C:52]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:24][CH2:32][CH:45]([CH:56]3[CH:48]([CH2:35][CH2:26][CH2:22][CH2:23][CH2:31][CH:43]([CH3:2])[CH:54]([CH:55]([C:58](=[O:67])[OH:68])[OH:64])[C:57](=[O:65])[OH:66])[O:74]3)[OH:60])=[O:62])[O:71][C:53]([CH2:38][CH2:29][CH2:17][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:21][CH2:30][CH2:39][OH:59])=[O:63])[O:73]2)[O:72]1 |
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