| Properties | Image |
|---|
| MNX_ID | MNXM1182619 |
 |
| reference | envipathM:...547e2ddafd87 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | TYXQFANNSFLLHV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-25-37-52(60)64-43(41-63-54(61)45(58)32-22-17-19-23-33-46-47(65-46)35-28-30-42(56)29-4-2)40-62-51(59)36-24-20-18-21-31-44(57)53-50(67-53)39-49-48(66-49)34-26-27-38-55/h7-8,10-11,28,30,42-43,45-50,53,55-56,58H,3-6,9,12-27,29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O)C1OC1CC1OC1CCCCO)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-25-37-52(60)64-43(41-63-54(61)45(58)32-22-17-19-23-33-46-47(65-46)35-28-30-42(56)29-4-2)40-62-51(59)36-24-20-18-21-31-44(57)53-50(67-53)39-49-48(66-49)34-26-27-38-55/h7-8,10-11,28,30,42-43,45-50,53,55-56,58H,3-6,9,12-27,29,31-41H2,1-2H3/b8-7?,11-10?,30-28?/t42?,43?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:25][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:24][CH2:20][CH2:18][CH2:21][CH2:31][C:44]([CH:53]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:34][CH2:26][CH2:27][CH2:38][OH:55])[O:66]2)[O:67]1)=[O:57])=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:17][CH2:19][CH2:23][CH2:33][CH:46]1[CH:47]([CH2:35][CH:28]=[CH:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:65]1)[OH:58])=[O:61] |
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