| Properties | Image |
|---|
| MNX_ID | MNXM1171137 |
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| reference | envipathM:...3d271047ea7c |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | MJZAZIQBWVPNPD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-6-12-23-33-47-48(66-47)34-24-14-10-16-26-36-51(59)63-41-44(65-53(61)38-28-19-18-22-32-43(56)31-21-13-8-7-9-20-29-39-55)42-64-52(60)37-27-17-11-15-25-35-49-50(67-49)40-46(58)54(62)45(57)30-4-2/h7-8,12,23,43-50,54-58,62H,3-6,9-11,13-22,24-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)C(O)CCC)OC(=O)CCCCCCC(O)CCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-6-12-23-33-47-48(66-47)34-24-14-10-16-26-36-51(59)63-41-44(65-53(61)38-28-19-18-22-32-43(56)31-21-13-8-7-9-20-29-39-55)42-64-52(60)37-27-17-11-15-25-35-49-50(67-49)40-46(58)54(62)45(57)30-4-2/h7-8,12,23,43-50,54-58,62H,3-6,9-11,13-22,24-42H2,1-2H3/b8-7?,23-12?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:12]=[CH:23][CH2:33][CH:47]1[CH:48]([CH2:34][CH2:24][CH2:14][CH2:10][CH2:16][CH2:26][CH2:36][C:51](=[O:59])[O:63][CH2:41][CH:44]([CH2:42][O:64][C:52]([CH2:37][CH2:27][CH2:17][CH2:11][CH2:15][CH2:25][CH2:35][CH:49]2[CH:50]([CH2:40][CH:46]([CH:54]([CH:45]([CH2:30][CH2:4][CH3:2])[OH:57])[OH:62])[OH:58])[O:67]2)=[O:60])[O:65][C:53]([CH2:38][CH2:28][CH2:19][CH2:18][CH2:22][CH2:32][CH:43]([CH2:31][CH2:21][CH2:13][CH:8]=[CH:7][CH2:9][CH2:20][CH2:29][CH2:39][OH:55])[OH:56])=[O:61])[O:66]1 |
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