| Properties | Image |
|---|
| MNX_ID | MNXM1172261 |
 |
| reference | envipathM:...a4048831dc07 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | OVNOVNAXHJCGQX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-7-9-10-13-19-29-42(56)30-20-18-22-32-45(58)54(61)64-43(41-63-52(60)37-26-17-16-21-31-44(57)53-48(67-53)35-24-12-8-6-4-2)40-62-51(59)36-25-15-11-14-23-33-46-49(65-46)39-50-47(66-50)34-27-28-38-55/h9-10,12,19,24,29,42-44,46-50,53,55-57H,3-8,11,13-18,20-23,25-28,30-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-7-9-10-13-19-29-42(56)30-20-18-22-32-45(58)54(61)64-43(41-63-52(60)37-26-17-16-21-31-44(57)53-48(67-53)35-24-12-8-6-4-2)40-62-51(59)36-25-15-11-14-23-33-46-49(65-46)39-50-47(66-50)34-27-28-38-55/h9-10,12,19,24,29,42-44,46-50,53,55-57H,3-8,11,13-18,20-23,25-28,30-41H2,1-2H3/b10-9?,24-12?,29-19?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:13][CH:19]=[CH:29][CH:42]([CH2:30][CH2:20][CH2:18][CH2:22][CH2:32][C:45]([C:54](=[O:61])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:25][CH2:15][CH2:11][CH2:14][CH2:23][CH2:33][CH:46]1[CH:49]([CH2:39][CH:50]2[CH:47]([CH2:34][CH2:27][CH2:28][CH2:38][OH:55])[O:66]2)[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:37][CH2:26][CH2:17][CH2:16][CH2:21][CH2:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH:24]=[CH:12][CH2:8][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:57])=[O:60])=[O:58])[OH:56] |
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