| Properties | Image |
|---|
| MNX_ID | MNXM1176976 |
 |
| reference | envipathM:...37a21744cabd |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | BILCTIPUFKQQMP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-12-15-21-30-41(55)31-22-18-19-27-37-51(60)64-42(39-62-49(58)35-26-17-13-16-25-34-46-45(65-46)33-24-14-10-8-5-2)40-63-50(59)36-28-20-23-32-43(56)52(61)54-48(67-54)38-47-53(66-47)44(57)29-6-3/h11-12,14,21,24,30,41-48,52-57,61H,4-10,13,15-20,22-23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCC(O)C(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-12-15-21-30-41(55)31-22-18-19-27-37-51(60)64-42(39-62-49(58)35-26-17-13-16-25-34-46-45(65-46)33-24-14-10-8-5-2)40-63-50(59)36-28-20-23-32-43(56)52(61)54-48(67-54)38-47-53(66-47)44(57)29-6-3/h11-12,14,21,24,30,41-48,52-57,61H,4-10,13,15-20,22-23,25-29,31-40H2,1-3H3/b12-11?,24-14?,30-21?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:21]=[CH:30][CH:41]([CH2:31][CH2:22][CH2:18][CH2:19][CH2:27][CH2:37][C:51](=[O:60])[O:64][CH:42]([CH2:39][O:62][C:49]([CH2:35][CH2:26][CH2:17][CH2:13][CH2:16][CH2:25][CH2:34][CH:46]1[CH:45]([CH2:33][CH:24]=[CH:14][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:50]([CH2:36][CH2:28][CH2:20][CH2:23][CH2:32][CH:43]([CH:52]([CH:54]1[CH:48]([CH2:38][CH:47]2[CH:53]([CH:44]([CH2:29][CH2:6][CH3:3])[OH:57])[O:66]2)[O:67]1)[OH:61])[OH:56])=[O:59])[OH:55] |
|