| Properties | Image |
|---|
| MNX_ID | MNXM1170144 |
 |
| reference | envipathM:...8a42d9471fed |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | CPXANUOQNIQIHC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-30-37-47(60)65-40(38-63-46(59)36-29-24-22-26-33-43(57)50-49(67-50)42(56)32-25-10-8-5-2)39-64-54(62)44(58)34-27-21-23-28-35-45-52(66-45)48(61)53-51(68-53)41(55)31-6-3/h11-12,14-15,25,32,40-45,48-53,55-58,61H,4-10,13,16-24,26-31,33-39H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-30-37-47(60)65-40(38-63-46(59)36-29-24-22-26-33-43(57)50-49(67-50)42(56)32-25-10-8-5-2)39-64-54(62)44(58)34-27-21-23-28-35-45-52(66-45)48(61)53-51(68-53)41(55)31-6-3/h11-12,14-15,25,32,40-45,48-53,55-58,61H,4-10,13,16-24,26-31,33-39H2,1-3H3/b12-11?,15-14?,32-25?/t40?,41?,42?,43?,44?,45?,48?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:30][CH2:37][C:47](=[O:60])[O:65][CH:40]([CH2:38][O:63][C:46]([CH2:36][CH2:29][CH2:24][CH2:22][CH2:26][CH2:33][CH:43]([CH:50]1[CH:49]([CH:42]([CH:32]=[CH:25][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:67]1)[OH:57])=[O:59])[CH2:39][O:64][C:54]([CH:44]([CH2:34][CH2:27][CH2:21][CH2:23][CH2:28][CH2:35][CH:45]1[CH:52]([CH:48]([CH:53]2[CH:51]([CH:41]([CH2:31][CH2:6][CH3:3])[OH:55])[O:68]2)[OH:61])[O:66]1)[OH:58])=[O:62] |
|