| Properties | Image |
|---|
| MNX_ID | MNXM1178876 |
 |
| reference | envipathM:...7c48f44ad9be |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | PPYFHELROIRTNP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-16-23-30-44(56)45(57)31-25-18-14-21-27-35-52(60)63-41-43(65-54(62)37-29-20-13-11-9-8-10-12-17-24-32-46(58)47(59)38-39-55)42-64-53(61)36-28-22-15-19-26-34-49-51(67-49)40-50-48(66-50)33-6-4-2/h16,23-24,32,43-51,55-59H,3-15,17-22,25-31,33-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-16-23-30-44(56)45(57)31-25-18-14-21-27-35-52(60)63-41-43(65-54(62)37-29-20-13-11-9-8-10-12-17-24-32-46(58)47(59)38-39-55)42-64-53(61)36-28-22-15-19-26-34-49-51(67-49)40-50-48(66-50)33-6-4-2/h16,23-24,32,43-51,55-59H,3-15,17-22,25-31,33-42H2,1-2H3/b23-16?,32-24?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:23][CH2:30][CH:44]([CH:45]([CH2:31][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:35][C:52](=[O:60])[O:63][CH2:41][CH:43]([CH2:42][O:64][C:53]([CH2:36][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:34][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:61])[O:65][C:54]([CH2:37][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:17][CH:24]=[CH:32][CH:46]([CH:47]([CH2:38][CH2:39][OH:55])[OH:59])[OH:58])=[O:62])[OH:57])[OH:56] |
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