| Properties | Image |
|---|
| MNX_ID | MNXM1196906 |
 |
| reference | envipathM:...d1aeb1bae10c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | BKXBBZGTUFMQJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-38-52(62)65-43(41-63-50(60)36-28-22-18-20-26-33-45(57)44(56)32-25-19-8-6-4-2)42-64-51(61)37-29-24-23-27-34-46(58)53-48(66-53)40-49-54(67-49)47(59)35-31-39-55/h9-10,12-13,19,25,39,43-49,53-54,56-59H,3-8,11,14-18,20-24,26-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-30-38-52(62)65-43(41-63-50(60)36-28-22-18-20-26-33-45(57)44(56)32-25-19-8-6-4-2)42-64-51(61)37-29-24-23-27-34-46(58)53-48(66-53)40-49-54(67-49)47(59)35-31-39-55/h9-10,12-13,19,25,39,43-49,53-54,56-59H,3-8,11,14-18,20-24,26-38,40-42H2,1-2H3/b10-9?,13-12?,25-19?/t43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:21][CH2:30][CH2:38][C:52](=[O:62])[O:65][CH:43]([CH2:41][O:63][C:50]([CH2:36][CH2:28][CH2:22][CH2:18][CH2:20][CH2:26][CH2:33][CH:45]([CH:44]([CH2:32][CH:25]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[OH:57])=[O:60])[CH2:42][O:64][C:51]([CH2:37][CH2:29][CH2:24][CH2:23][CH2:27][CH2:34][CH:46]([CH:53]1[CH:48]([CH2:40][CH:49]2[CH:54]([CH:47]([CH2:35][CH2:31][CH:39]=[O:55])[OH:59])[O:67]2)[O:66]1)[OH:58])=[O:61] |
|