| Properties | Image |
|---|
| MNX_ID | MNXM1187995 |
 |
| reference | envipathM:...b852f3020e04 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | MMRUVDOVOCVUCQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-22-29-45(58)54-48(67-54)32-24-17-14-20-26-34-52(60)63-40-42(64-53(61)35-27-18-12-10-11-15-21-28-41(55)36-37-44(57)43(56)6-3)39-62-51(59)33-25-19-13-16-23-31-47-50(66-47)38-49-46(65-49)30-8-5-2/h21,28,36-37,41-50,54-58H,4-20,22-27,29-35,38-40H2,1-3H3 |
| SMILES | CCCCCCC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-22-29-45(58)54-48(67-54)32-24-17-14-20-26-34-52(60)63-40-42(64-53(61)35-27-18-12-10-11-15-21-28-41(55)36-37-44(57)43(56)6-3)39-62-51(59)33-25-19-13-16-23-31-47-50(66-47)38-49-46(65-49)30-8-5-2/h21,28,36-37,41-50,54-58H,4-20,22-27,29-35,38-40H2,1-3H3/b28-21?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:22][CH2:29][CH:45]([CH:54]1[CH:48]([CH2:32][CH2:24][CH2:17][CH2:14][CH2:20][CH2:26][CH2:34][C:52](=[O:60])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:51]([CH2:33][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:31][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:30][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:53]([CH2:35][CH2:27][CH2:18][CH2:12][CH2:10][CH2:11][CH2:15][CH:21]=[CH:28][CH:41]([CH:36]=[CH:37][CH:44]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:57])[OH:55])=[O:61])[O:67]1)[OH:58] |
|