| Properties | Image |
|---|
| MNX_ID | MNXM1178807 |
 |
| reference | envipathM:...340880130ebc |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | LVWLTHGZCRPWEL-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-14-23-34-47-54(67-47)53(61)44(57)31-21-19-26-36-51(59)63-41-43(64-52(60)37-25-17-12-10-8-7-9-11-15-20-30-42(56)29-4-2)40-62-50(58)35-24-18-13-16-22-32-45-48(65-45)39-49-46(66-49)33-27-28-38-55/h9,11,14,20,23,30,42-43,45-49,53-56,61H,3-8,10,12-13,15-19,21-22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)C(=O)CCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-14-23-34-47-54(67-47)53(61)44(57)31-21-19-26-36-51(59)63-41-43(64-52(60)37-25-17-12-10-8-7-9-11-15-20-30-42(56)29-4-2)40-62-50(58)35-24-18-13-16-22-32-45-48(65-45)39-49-46(66-49)33-27-28-38-55/h9,11,14,20,23,30,42-43,45-49,53-56,61H,3-8,10,12-13,15-19,21-22,24-29,31-41H2,1-2H3/b11-9?,23-14?,30-20?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:23][CH2:34][CH:47]1[CH:54]([CH:53]([C:44]([CH2:31][CH2:21][CH2:19][CH2:26][CH2:36][C:51](=[O:59])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:50]([CH2:35][CH2:24][CH2:18][CH2:13][CH2:16][CH2:22][CH2:32][CH:45]2[CH:48]([CH2:39][CH:49]3[CH:46]([CH2:33][CH2:27][CH2:28][CH2:38][OH:55])[O:66]3)[O:65]2)=[O:58])[O:64][C:52]([CH2:37][CH2:25][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:20]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])=[O:60])=[O:57])[OH:61])[O:67]1 |
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