| Properties | Image |
|---|
| MNX_ID | MNXM1197131 |
 |
| reference | envipathM:...3b4524328141 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | UAZLOLMIPQUPOC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-13-22-31-45-46(65-45)32-23-14-12-15-25-34-51(58)62-39-43(64-52(59)35-26-17-16-20-28-42(56)37-36-41(55)27-19-11-8-5-2)40-63-54(61)53(60)44(57)29-21-18-24-33-48-50(67-48)38-49-47(66-49)30-9-6-3/h13,19,22,27,36-37,41,43-50,53,55,57,60H,4-12,14-18,20-21,23-26,28-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(=O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-13-22-31-45-46(65-45)32-23-14-12-15-25-34-51(58)62-39-43(64-52(59)35-26-17-16-20-28-42(56)37-36-41(55)27-19-11-8-5-2)40-63-54(61)53(60)44(57)29-21-18-24-33-48-50(67-48)38-49-47(66-49)30-9-6-3/h13,19,22,27,36-37,41,43-50,53,55,57,60H,4-12,14-18,20-21,23-26,28-35,38-40H2,1-3H3/b22-13?,27-19?,37-36?/t41?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:22][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:23][CH2:14][CH2:12][CH2:15][CH2:25][CH2:34][C:51](=[O:58])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:54]([CH:53]([CH:44]([CH2:29][CH2:21][CH2:18][CH2:24][CH2:33][CH:48]2[CH:50]([CH2:38][CH:49]3[CH:47]([CH2:30][CH2:9][CH2:6][CH3:3])[O:66]3)[O:67]2)[OH:57])[OH:60])=[O:61])[O:64][C:52]([CH2:35][CH2:26][CH2:17][CH2:16][CH2:20][CH2:28][C:42]([CH:37]=[CH:36][CH:41]([CH:27]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:59])[O:65]1 |
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