| Properties | Image |
|---|
| MNX_ID | MNXM1196549 |
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| reference | envipathM:...047989e7bd37 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FMELMWNWROSFLC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-6-14-23-32-46-47(65-46)33-25-20-19-22-31-45(58)54(61)63-41-42(64-53(60)37-27-17-12-10-8-7-9-11-15-21-30-44(57)43(56)4-2)40-62-52(59)36-26-18-13-16-24-34-48-50(66-48)39-51-49(67-51)35-28-29-38-55/h9,11,14,21,23,30,42-43,45-51,55-56,58H,3-8,10,12-13,15-20,22,24-29,31-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)OC(=O)CCCCCCCC=CCC=CC(=O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-6-14-23-32-46-47(65-46)33-25-20-19-22-31-45(58)54(61)63-41-42(64-53(60)37-27-17-12-10-8-7-9-11-15-21-30-44(57)43(56)4-2)40-62-52(59)36-26-18-13-16-24-34-48-50(66-48)39-51-49(67-51)35-28-29-38-55/h9,11,14,21,23,30,42-43,45-51,55-56,58H,3-8,10,12-13,15-20,22,24-29,31-41H2,1-2H3/b11-9?,23-14?,30-21?/t42?,43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:14]=[CH:23][CH2:32][CH:46]1[CH:47]([CH2:33][CH2:25][CH2:20][CH2:19][CH2:22][CH2:31][CH:45]([C:54](=[O:61])[O:63][CH2:41][CH:42]([CH2:40][O:62][C:52]([CH2:36][CH2:26][CH2:18][CH2:13][CH2:16][CH2:24][CH2:34][CH:48]2[CH:50]([CH2:39][CH:51]3[CH:49]([CH2:35][CH2:28][CH2:29][CH2:38][OH:55])[O:67]3)[O:66]2)=[O:59])[O:64][C:53]([CH2:37][CH2:27][CH2:17][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:15][CH:21]=[CH:30][C:44]([CH:43]([CH2:4][CH3:2])[OH:56])=[O:57])=[O:60])[OH:58])[O:65]1 |
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