| Properties | Image |
|---|
| MNX_ID | MNXM1192718 |
 |
| reference | envipathM:...eab911bc4ed4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XCALVFJFHNSVCG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-15-21-29-41(55)30-22-20-25-33-45(58)54(61)64-42(39-62-52(59)43(56)31-23-16-18-27-36-47-46(65-47)35-26-14-11-8-5-2)40-63-53(60)44(57)32-24-17-19-28-37-49-51(67-49)38-50-48(66-50)34-9-6-3/h12-14,21,26,29,41-42,44-51,55,57-58H,4-11,15-20,22-25,27-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-15-21-29-41(55)30-22-20-25-33-45(58)54(61)64-42(39-62-52(59)43(56)31-23-16-18-27-36-47-46(65-47)35-26-14-11-8-5-2)40-63-53(60)44(57)32-24-17-19-28-37-49-51(67-49)38-50-48(66-50)34-9-6-3/h12-14,21,26,29,41-42,44-51,55,57-58H,4-11,15-20,22-25,27-28,30-40H2,1-3H3/b13-12?,26-14?,29-21?/t41?,42?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:15][CH:21]=[CH:29][CH:41]([CH2:30][CH2:22][CH2:20][CH2:25][CH2:33][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:52]([C:43]([CH2:31][CH2:23][CH2:16][CH2:18][CH2:27][CH2:36][CH:47]1[CH:46]([CH2:35][CH:26]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])=[O:59])[CH2:40][O:63][C:53]([CH:44]([CH2:32][CH2:24][CH2:17][CH2:19][CH2:28][CH2:37][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:57])=[O:60])[OH:58])[OH:55] |
|