| Properties | Image |
|---|
| MNX_ID | MNXM1177539 |
 |
| reference | envipathM:...c80173e996f4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | NUBCEOCEQFQUDJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-19-28-43(57)29-20-11-6-5-7-15-26-35-54(61)64-45(41-62-52(59)33-24-16-8-12-21-30-46-47(65-46)31-22-14-10-18-27-38-55)42-63-53(60)34-25-17-9-13-23-32-48-50(66-48)39-51-49(67-51)37-36-44(58)40-56/h14,19-20,22,28-29,38,43-51,56-58H,2-13,15-18,21,23-27,30-37,39-42H2,1H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-19-28-43(57)29-20-11-6-5-7-15-26-35-54(61)64-45(41-62-52(59)33-24-16-8-12-21-30-46-47(65-46)31-22-14-10-18-27-38-55)42-63-53(60)34-25-17-9-13-23-32-48-50(66-48)39-51-49(67-51)37-36-44(58)40-56/h14,19-20,22,28-29,38,43-51,56-58H,2-13,15-18,21,23-27,30-37,39-42H2,1H3/b22-14?,28-19?,29-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:19]=[CH:28][CH:43]([CH:29]=[CH:20][CH2:11][CH2:6][CH2:5][CH2:7][CH2:15][CH2:26][CH2:35][C:54](=[O:61])[O:64][CH:45]([CH2:41][O:62][C:52]([CH2:33][CH2:24][CH2:16][CH2:8][CH2:12][CH2:21][CH2:30][CH:46]1[CH:47]([CH2:31][CH:22]=[CH:14][CH2:10][CH2:18][CH2:27][CH:38]=[O:55])[O:65]1)=[O:59])[CH2:42][O:63][C:53]([CH2:34][CH2:25][CH2:17][CH2:9][CH2:13][CH2:23][CH2:32][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:37][CH2:36][CH:44]([CH2:40][OH:56])[OH:58])[O:67]2)[O:66]1)=[O:60])[OH:57] |
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