| Properties | Image |
|---|
| MNX_ID | MNXM1196965 |
 |
| reference | envipathM:...24739789b194 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PQQDLVWYQBXTIA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(60)64-41(39-62-48(58)35-28-23-22-26-32-43(56)52-47(66-52)38-46-45(65-46)34-9-6-3)40-63-49(59)36-30-24-27-31-42(55)51(61)54-53(67-54)44(57)33-25-11-8-5-2/h12-13,15-16,41-47,51-57,61H,4-11,14,17-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)COC(=O)CCCCCC(O)C(O)C1OC1C(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(60)64-41(39-62-48(58)35-28-23-22-26-32-43(56)52-47(66-52)38-46-45(65-46)34-9-6-3)40-63-49(59)36-30-24-27-31-42(55)51(61)54-53(67-54)44(57)33-25-11-8-5-2/h12-13,15-16,41-47,51-57,61H,4-11,14,17-40H2,1-3H3/b13-12?,16-15?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:29][CH2:37][C:50](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:48]([CH2:35][CH2:28][CH2:23][CH2:22][CH2:26][CH2:32][CH:43]([CH:52]1[CH:47]([CH2:38][CH:46]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:56])=[O:58])[CH2:40][O:63][C:49]([CH2:36][CH2:30][CH2:24][CH2:27][CH2:31][CH:42]([CH:51]([CH:54]1[CH:53]([CH:44]([CH2:33][CH2:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)[OH:61])[OH:55])=[O:59] |
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