| Properties | Image |
|---|
| MNX_ID | MNXM1173061 |
 |
| reference | envipathM:...a85b3ef1f2a3 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | XBMBBIXLNBMANH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-32-48-50(65-48)39-51-49(66-51)34-21-11-9-13-23-37-53(59)62-41-45(63-54(60)38-24-15-14-17-29-44(57)30-19-16-18-28-42(55)26-5-2)40-61-52(58)36-22-12-8-10-20-33-46-47(64-46)35-25-31-43(56)27-6-3/h18,28,42-51,55-57H,4-17,19-27,29-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)OC(=O)CCCCCCC(O)CCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-32-48-50(65-48)39-51-49(66-51)34-21-11-9-13-23-37-53(59)62-41-45(63-54(60)38-24-15-14-17-29-44(57)30-19-16-18-28-42(55)26-5-2)40-61-52(58)36-22-12-8-10-20-33-46-47(64-46)35-25-31-43(56)27-6-3/h18,28,42-51,55-57H,4-17,19-27,29-41H2,1-3H3/b28-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:32][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:21][CH2:11][CH2:9][CH2:13][CH2:23][CH2:37][C:53](=[O:59])[O:62][CH2:41][CH:45]([CH2:40][O:61][C:52]([CH2:36][CH2:22][CH2:12][CH2:8][CH2:10][CH2:20][CH2:33][CH:46]3[CH:47]([CH2:35][CH2:25][CH2:31][CH:43]([CH2:27][CH2:6][CH3:3])[OH:56])[O:64]3)=[O:58])[O:63][C:54]([CH2:38][CH2:24][CH2:15][CH2:14][CH2:17][CH2:29][CH:44]([CH2:30][CH2:19][CH2:16][CH:18]=[CH:28][CH:42]([CH2:26][CH2:5][CH3:2])[OH:55])[OH:57])=[O:60])[O:66]2)[O:65]1 |
|