| Properties | Image |
|---|
| MNX_ID | MNXM1192779 |
 |
| reference | envipathM:...9d42c665ef12 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | USTMFUHEWHTPCP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-52(61)65-43(42-64-51(60)37-29-23-22-26-34-45(57)53(62)44(56)33-25-18-17-24-31-39-55)41-63-50(59)36-28-21-16-19-27-35-47-48(66-47)40-49-54(67-49)46(58)32-4-2/h7-8,10-11,18,25,43-49,53-58,62H,3-6,9,12-17,19-24,26-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCCC(O)C(O)C(O)CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-20-30-38-52(61)65-43(42-64-51(60)37-29-23-22-26-34-45(57)53(62)44(56)33-25-18-17-24-31-39-55)41-63-50(59)36-28-21-16-19-27-35-47-48(66-47)40-49-54(67-49)46(58)32-4-2/h7-8,10-11,18,25,43-49,53-58,62H,3-6,9,12-17,19-24,26-42H2,1-2H3/b8-7?,11-10?,25-18?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:20][CH2:30][CH2:38][C:52](=[O:61])[O:65][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:27][CH2:35][CH:47]1[CH:48]([CH2:40][CH:49]2[CH:54]([CH:46]([CH2:32][CH2:4][CH3:2])[OH:58])[O:67]2)[O:66]1)=[O:59])[CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:23][CH2:22][CH2:26][CH2:34][CH:45]([CH:53]([CH:44]([CH2:33][CH:25]=[CH:18][CH2:17][CH2:24][CH2:31][CH2:39][OH:55])[OH:56])[OH:62])[OH:57])=[O:60] |
|