| Properties | Image |
|---|
| MNX_ID | MNXM1175642 |
 |
| reference | envipathM:...f3035934ebf9 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | OISWLAFQRNAOKR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-35-52(60)64-43(40-62-51(59)34-28-23-21-24-30-44(57)53-48(67-53)33-27-18-8-6-4-2)41-63-54(61)45(58)31-25-20-22-26-32-46-49(65-46)38-50-47(66-50)37-36-42(56)39-55/h9-10,12-13,18,27,39,42-50,53,56-58H,3-8,11,14-17,19-26,28-38,40-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCC(O)C=O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-35-52(60)64-43(40-62-51(59)34-28-23-21-24-30-44(57)53-48(67-53)33-27-18-8-6-4-2)41-63-54(61)45(58)31-25-20-22-26-32-46-49(65-46)38-50-47(66-50)37-36-42(56)39-55/h9-10,12-13,18,27,39,42-50,53,56-58H,3-8,11,14-17,19-26,28-38,40-41H2,1-2H3/b10-9?,13-12?,27-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:29][CH2:35][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:34][CH2:28][CH2:23][CH2:21][CH2:24][CH2:30][CH:44]([CH:53]1[CH:48]([CH2:33][CH:27]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:57])=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:31][CH2:25][CH2:20][CH2:22][CH2:26][CH2:32][CH:46]1[CH:49]([CH2:38][CH:50]2[CH:47]([CH2:37][CH2:36][CH:42]([CH:39]=[O:55])[OH:56])[O:66]2)[O:65]1)[OH:58])=[O:61] |
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