| Properties | Image |
|---|
| MNX_ID | MNXM1173490 |
 |
| reference | envipathM:...c0d52430fc26 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XOYOHVBCJPTTOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-6-8-16-26-34-47-54(67-47)44(57)31-24-21-22-28-36-51(59)63-40-42(64-52(60)37-29-19-14-12-10-9-11-13-17-23-30-43(56)53(61)41(3)55)39-62-50(58)35-27-20-15-18-25-33-46-49(66-46)38-48-45(65-48)32-7-5-2/h11,13,16,23,26,30,41-42,44-49,53-55,57,61H,4-10,12,14-15,17-22,24-25,27-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(=O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-6-8-16-26-34-47-54(67-47)44(57)31-24-21-22-28-36-51(59)63-40-42(64-52(60)37-29-19-14-12-10-9-11-13-17-23-30-43(56)53(61)41(3)55)39-62-50(58)35-27-20-15-18-25-33-46-49(66-46)38-48-45(65-48)32-7-5-2/h11,13,16,23,26,30,41-42,44-49,53-55,57,61H,4-10,12,14-15,17-22,24-25,27-29,31-40H2,1-3H3/b13-11?,26-16?,30-23?/t41?,42?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:16]=[CH:26][CH2:34][CH:47]1[CH:54]([CH:44]([CH2:31][CH2:24][CH2:21][CH2:22][CH2:28][CH2:36][C:51](=[O:59])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:50]([CH2:35][CH2:27][CH2:20][CH2:15][CH2:18][CH2:25][CH2:33][CH:46]2[CH:49]([CH2:38][CH:48]3[CH:45]([CH2:32][CH2:7][CH2:5][CH3:2])[O:65]3)[O:66]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][C:43]([CH:53]([CH:41]([CH3:3])[OH:55])[OH:61])=[O:56])=[O:60])[OH:57])[O:67]1 |
|