| Properties | Image |
|---|
| MNX_ID | MNXM1191234 |
 |
| reference | envipathM:...8664e425b9fb |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | DQSFVVJAMBFHIO-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-5-15-24-33-46-47(72-46)34-25-17-14-19-27-37-52(61)69-41-44(42-70-58(68)45(60)32-23-20-21-26-35-48-50(73-48)40-51-49(74-51)36-29-30-39-59)71-53(62)38-28-18-13-11-9-7-6-8-10-12-16-22-31-43(2)54(56(64)65)55(63)57(66)67/h6,8,15,24,43-51,54-55,59-60,63H,3-5,7,9-14,16-23,25-42H2,1-2H3,(H,64,65)(H,66,67)/p-2 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-5-15-24-33-46-47(72-46)34-25-17-14-19-27-37-52(61)69-41-44(42-70-58(68)45(60)32-23-20-21-26-35-48-50(73-48)40-51-49(74-51)36-29-30-39-59)71-53(62)38-28-18-13-11-9-7-6-8-10-12-16-22-31-43(2)54(56(64)65)55(63)57(66)67/h6,8,15,24,43-51,54-55,59-60,63H,3-5,7,9-14,16-23,25-42H2,1-2H3,(H,64,65)(H,66,67)/b8-6?,24-15?/t43?,44?,45?,46?,47?,48?,49?,50?,51?,54?,55? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:15]=[CH:24][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:25][CH2:17][CH2:14][CH2:19][CH2:27][CH2:37][C:52](=[O:61])[O:69][CH2:41][CH:44]([CH2:42][O:70][C:58]([CH:45]([CH2:32][CH2:23][CH2:20][CH2:21][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:40][CH:51]3[CH:49]([CH2:36][CH2:29][CH2:30][CH2:39][OH:59])[O:74]3)[O:73]2)[OH:60])=[O:68])[O:71][C:53]([CH2:38][CH2:28][CH2:18][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:16][CH2:22][CH2:31][CH:43]([CH3:2])[CH:54]([CH:55]([C:57](=[O:66])[OH:67])[OH:63])[C:56](=[O:64])[OH:65])=[O:62])[O:72]1 |
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