| Properties | Image |
|---|
| MNX_ID | MNXM1196292 |
 |
| reference | envipathM:...2745c14dc5f8 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | RCDDBLOKXSHTAY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-12-15-22-31-42(55)32-23-18-20-29-38-52(61)65-43(41-64-51(60)37-28-21-19-25-34-45(57)53(62)44(56)33-24-14-10-8-5-2)40-63-50(59)36-27-17-13-16-26-35-47-48(66-47)39-49-54(67-49)46(58)30-6-3/h11-12,14,22,24,31,42-43,45-49,53-55,57-58,62H,4-10,13,15-21,23,25-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCCC(O)C(O)C(=O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-12-15-22-31-42(55)32-23-18-20-29-38-52(61)65-43(41-64-51(60)37-28-21-19-25-34-45(57)53(62)44(56)33-24-14-10-8-5-2)40-63-50(59)36-27-17-13-16-26-35-47-48(66-47)39-49-54(67-49)46(58)30-6-3/h11-12,14,22,24,31,42-43,45-49,53-55,57-58,62H,4-10,13,15-21,23,25-30,32-41H2,1-3H3/b12-11?,24-14?,31-22?/t42?,43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:15][CH:22]=[CH:31][CH:42]([CH2:32][CH2:23][CH2:18][CH2:20][CH2:29][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:40][O:63][C:50]([CH2:36][CH2:27][CH2:17][CH2:13][CH2:16][CH2:26][CH2:35][CH:47]1[CH:48]([CH2:39][CH:49]2[CH:54]([CH:46]([CH2:30][CH2:6][CH3:3])[OH:58])[O:67]2)[O:66]1)=[O:59])[CH2:41][O:64][C:51]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:25][CH2:34][CH:45]([CH:53]([C:44]([CH2:33][CH:24]=[CH:14][CH2:10][CH2:8][CH2:5][CH3:2])=[O:56])[OH:62])[OH:57])=[O:60])[OH:55] |
|