| Properties | Image |
|---|
| MNX_ID | MNXM1170129 |
 |
| reference | envipathM:...859f89bc6df4 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | BMDANWYLLVLYKI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-10-11-13-20-29-43(56)30-21-16-18-26-38-53(60)63-44(40-61-51(58)36-24-15-12-14-23-34-47-50(65-47)39-49-46(64-49)33-8-5-2)41-62-52(59)37-25-19-17-22-32-45(57)54-48(66-54)35-27-31-42(55)28-6-3/h20,29,42-50,54-57H,4-19,21-28,30-41H2,1-3H3 |
| SMILES | CCCCCCCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-10-11-13-20-29-43(56)30-21-16-18-26-38-53(60)63-44(40-61-51(58)36-24-15-12-14-23-34-47-50(65-47)39-49-46(64-49)33-8-5-2)41-62-52(59)37-25-19-17-22-32-45(57)54-48(66-54)35-27-31-42(55)28-6-3/h20,29,42-50,54-57H,4-19,21-28,30-41H2,1-3H3/b29-20?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:13][CH:20]=[CH:29][CH:43]([CH2:30][CH2:21][CH2:16][CH2:18][CH2:26][CH2:38][C:53](=[O:60])[O:63][CH:44]([CH2:40][O:61][C:51]([CH2:36][CH2:24][CH2:15][CH2:12][CH2:14][CH2:23][CH2:34][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:58])[CH2:41][O:62][C:52]([CH2:37][CH2:25][CH2:19][CH2:17][CH2:22][CH2:32][CH:45]([CH:54]1[CH:48]([CH2:35][CH2:27][CH2:31][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[O:66]1)[OH:57])=[O:59])[OH:56] |
|