| Properties | Image |
|---|
| MNX_ID | MNXM1203939 |
 |
| reference | envipathM:...bca0d73d452b |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | JPRZUJBJAVHVDU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-20-29-42(56)30-21-14-11-10-12-16-26-38-50(60)66-43(40-65-54(63)45(58)33-23-18-19-24-35-46-47(67-46)36-27-31-41(55)28-6-3)39-64-49(59)37-25-17-13-15-22-32-44(57)51(61)52(62)53-48(68-53)34-8-5-2/h20-21,27,29-31,41-48,51-53,55-58,61-62H,4-19,22-26,28,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-20-29-42(56)30-21-14-11-10-12-16-26-38-50(60)66-43(40-65-54(63)45(58)33-23-18-19-24-35-46-47(67-46)36-27-31-41(55)28-6-3)39-64-49(59)37-25-17-13-15-22-32-44(57)51(61)52(62)53-48(68-53)34-8-5-2/h20-21,27,29-31,41-48,51-53,55-58,61-62H,4-19,22-26,28,32-40H2,1-3H3/b29-20?,30-21?,31-27?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:29][CH:42]([CH:30]=[CH:21][CH2:14][CH2:11][CH2:10][CH2:12][CH2:16][CH2:26][CH2:38][C:50](=[O:60])[O:66][CH:43]([CH2:39][O:64][C:49]([CH2:37][CH2:25][CH2:17][CH2:13][CH2:15][CH2:22][CH2:32][CH:44]([CH:51]([CH:52]([CH:53]1[CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[O:68]1)[OH:62])[OH:61])[OH:57])=[O:59])[CH2:40][O:65][C:54]([CH:45]([CH2:33][CH2:23][CH2:18][CH2:19][CH2:24][CH2:35][CH:46]1[CH:47]([CH2:36][CH:27]=[CH:31][CH:41]([CH2:28][CH2:6][CH3:3])[OH:55])[O:67]1)[OH:58])=[O:63])[OH:56] |
|