| Properties | Image |
|---|
| MNX_ID | MNXM1197972 |
 |
| reference | envipathM:...c2d3bb2e4450 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QJABZJUYUKYLGP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-8-16-25-33-45-46(65-45)34-26-19-14-21-28-36-50(58)62-39-42(64-54(61)44(57)32-24-18-13-11-9-10-12-17-23-31-41(55)30-5-2)40-63-51(59)37-29-22-15-20-27-35-47-48(66-47)38-49-53(67-49)52(60)43(56)6-3/h10,12,16,25,41-49,52-53,55-57,60H,4-9,11,13-15,17-24,26-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC)OC(=O)C(O)CCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-8-16-25-33-45-46(65-45)34-26-19-14-21-28-36-50(58)62-39-42(64-54(61)44(57)32-24-18-13-11-9-10-12-17-23-31-41(55)30-5-2)40-63-51(59)37-29-22-15-20-27-35-47-48(66-47)38-49-53(67-49)52(60)43(56)6-3/h10,12,16,25,41-49,52-53,55-57,60H,4-9,11,13-15,17-24,26-40H2,1-3H3/b12-10?,25-16?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:16]=[CH:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:26][CH2:19][CH2:14][CH2:21][CH2:28][CH2:36][C:50](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:51]([CH2:37][CH2:29][CH2:22][CH2:15][CH2:20][CH2:27][CH2:35][CH:47]2[CH:48]([CH2:38][CH:49]3[CH:53]([CH:52]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:60])[O:67]3)[O:66]2)=[O:59])[O:64][C:54]([CH:44]([CH2:32][CH2:24][CH2:18][CH2:13][CH2:11][CH2:9][CH:10]=[CH:12][CH2:17][CH2:23][CH2:31][CH:41]([CH2:30][CH2:5][CH3:2])[OH:55])[OH:57])=[O:61])[O:65]1 |
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