| Properties | Image |
|---|
| MNX_ID | MNXM1174725 |
 |
| reference | envipathM:...1fefc69bcbda |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | JNGKNAWMNWTODJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-6-8-16-25-33-45-46(65-45)34-27-22-21-24-31-44(57)54(61)63-40-42(64-52(59)37-29-19-14-12-10-9-11-13-17-23-30-43(56)53(60)41(3)55)39-62-51(58)36-28-20-15-18-26-35-48-50(67-48)38-49-47(66-49)32-7-5-2/h11,13,16,23,25,30,41-43,45-50,53,55-56,60H,4-10,12,14-15,17-22,24,26-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(=O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-6-8-16-25-33-45-46(65-45)34-27-22-21-24-31-44(57)54(61)63-40-42(64-52(59)37-29-19-14-12-10-9-11-13-17-23-30-43(56)53(60)41(3)55)39-62-51(58)36-28-20-15-18-26-35-48-50(67-48)38-49-47(66-49)32-7-5-2/h11,13,16,23,25,30,41-43,45-50,53,55-56,60H,4-10,12,14-15,17-22,24,26-29,31-40H2,1-3H3/b13-11?,25-16?,30-23?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:16]=[CH:25][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:27][CH2:22][CH2:21][CH2:24][CH2:31][C:44]([C:54](=[O:61])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:51]([CH2:36][CH2:28][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:38][CH:49]3[CH:47]([CH2:32][CH2:7][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:58])[O:64][C:52]([CH2:37][CH2:29][CH2:19][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:17][CH:23]=[CH:30][CH:43]([CH:53]([CH:41]([CH3:3])[OH:55])[OH:60])[OH:56])=[O:59])=[O:57])[O:65]1 |
|