| Properties | Image |
|---|
| MNX_ID | MNXM1187328 |
 |
| reference | envipathM:...0ee792a65a40 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | GQYVMXWSHIRNDT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-20-28-42(56)29-21-14-10-9-11-17-27-35-53(61)64-44(41-63-52(60)34-26-19-13-16-24-32-48-54(67-48)45(58)30-22-8-6-4-2)40-62-51(59)33-25-18-12-15-23-31-46-49(65-46)38-50-47(66-50)37-36-43(57)39-55/h20-22,28-30,42-50,54-58H,3-19,23-27,31-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-20-28-42(56)29-21-14-10-9-11-17-27-35-53(61)64-44(41-63-52(60)34-26-19-13-16-24-32-48-54(67-48)45(58)30-22-8-6-4-2)40-62-51(59)33-25-18-12-15-23-31-46-49(65-46)38-50-47(66-50)37-36-43(57)39-55/h20-22,28-30,42-50,54-58H,3-19,23-27,31-41H2,1-2H3/b28-20?,29-21?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:28][CH:42]([CH:29]=[CH:21][CH2:14][CH2:10][CH2:9][CH2:11][CH2:17][CH2:27][CH2:35][C:53](=[O:61])[O:64][CH:44]([CH2:40][O:62][C:51]([CH2:33][CH2:25][CH2:18][CH2:12][CH2:15][CH2:23][CH2:31][CH:46]1[CH:49]([CH2:38][CH:50]2[CH:47]([CH2:37][CH2:36][CH:43]([CH2:39][OH:55])[OH:57])[O:66]2)[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:34][CH2:26][CH2:19][CH2:13][CH2:16][CH2:24][CH2:32][CH:48]1[CH:54]([CH:45]([CH:30]=[CH:22][CH2:8][CH2:6][CH2:4][CH3:2])[OH:58])[O:67]1)=[O:60])[OH:56] |
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