| Properties | Image |
|---|
| MNX_ID | MNXM1180236 |
 |
| reference | envipathM:...bc43053279ae |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | ZHMHVEXVXYYDKB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-20-29-42(56)30-21-12-8-9-13-23-32-45(58)54(61)64-43(40-62-51(59)36-26-16-10-14-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2)41-63-52(60)37-27-17-11-15-25-35-48-53(67-48)44(57)31-22-18-19-28-38-55/h20-22,29-31,42-44,46-50,53,55-57H,3-19,23-28,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-20-29-42(56)30-21-12-8-9-13-23-32-45(58)54(61)64-43(40-62-51(59)36-26-16-10-14-24-34-47-50(66-47)39-49-46(65-49)33-6-4-2)41-63-52(60)37-27-17-11-15-25-35-48-53(67-48)44(57)31-22-18-19-28-38-55/h20-22,29-31,42-44,46-50,53,55-57H,3-19,23-28,32-41H2,1-2H3/b29-20?,30-21?,31-22?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:29][CH:42]([CH:30]=[CH:21][CH2:12][CH2:8][CH2:9][CH2:13][CH2:23][CH2:32][C:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:26][CH2:16][CH2:10][CH2:14][CH2:24][CH2:34][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:59])[CH2:41][O:63][C:52]([CH2:37][CH2:27][CH2:17][CH2:11][CH2:15][CH2:25][CH2:35][CH:48]1[CH:53]([CH:44]([CH:31]=[CH:22][CH2:18][CH2:19][CH2:28][CH2:38][OH:55])[OH:57])[O:67]1)=[O:60])=[O:58])[OH:56] |
|