| Properties | Image |
|---|
| MNX_ID | MNXM1183796 |
 |
| reference | envipathM:...7eea5886e350 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | OFVOUBPMSAYNRB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-20-28-41(55)29-21-14-11-10-12-16-26-37-53(61)64-42(39-62-51(59)35-24-17-13-15-23-33-46-47(65-46)34-27-31-44(57)43(56)6-3)40-63-52(60)36-25-19-18-22-30-45(58)54-50(67-54)38-49-48(66-49)32-8-5-2/h20-21,27-29,31,41-43,45-50,54-56,58H,4-19,22-26,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(=O)C(O)CC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-20-28-41(55)29-21-14-11-10-12-16-26-37-53(61)64-42(39-62-51(59)35-24-17-13-15-23-33-46-47(65-46)34-27-31-44(57)43(56)6-3)40-63-52(60)36-25-19-18-22-30-45(58)54-50(67-54)38-49-48(66-49)32-8-5-2/h20-21,27-29,31,41-43,45-50,54-56,58H,4-19,22-26,30,32-40H2,1-3H3/b28-20?,29-21?,31-27?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:28][CH:41]([CH:29]=[CH:21][CH2:14][CH2:11][CH2:10][CH2:12][CH2:16][CH2:26][CH2:37][C:53](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:51]([CH2:35][CH2:24][CH2:17][CH2:13][CH2:15][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH:27]=[CH:31][C:44]([CH:43]([CH2:6][CH3:3])[OH:56])=[O:57])[O:65]1)=[O:59])[CH2:40][O:63][C:52]([CH2:36][CH2:25][CH2:19][CH2:18][CH2:22][CH2:30][CH:45]([CH:54]1[CH:50]([CH2:38][CH:49]2[CH:48]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:58])=[O:60])[OH:55] |
|