| Properties | Image |
|---|
| MNX_ID | MNXM1180923 |
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| reference | envipathM:...19d863756118 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | LYRQAHUUKQUWFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-14-24-33-48-49(66-48)34-25-16-13-18-26-35-52(60)63-40-44(65-53(61)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)41-64-54(62)46(58)31-23-20-19-22-30-45(57)47(59)39-51-50(67-51)32-8-5-2/h14,21,24,29,37-38,42,44-51,55,57-59H,4-13,15-20,22-23,25-28,30-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(=O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-14-24-33-48-49(66-48)34-25-16-13-18-26-35-52(60)63-40-44(65-53(61)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)41-64-54(62)46(58)31-23-20-19-22-30-45(57)47(59)39-51-50(67-51)32-8-5-2/h14,21,24,29,37-38,42,44-51,55,57-59H,4-13,15-20,22-23,25-28,30-36,39-41H2,1-3H3/b24-14?,29-21?,38-37?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:24][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:25][CH2:16][CH2:13][CH2:18][CH2:26][CH2:35][C:52](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:54]([CH:46]([CH2:31][CH2:23][CH2:20][CH2:19][CH2:22][CH2:30][CH:45]([CH:47]([CH2:39][CH:51]2[CH:50]([CH2:32][CH2:8][CH2:5][CH3:2])[O:67]2)[OH:59])[OH:57])[OH:58])=[O:62])[O:65][C:53]([CH2:36][CH2:27][CH2:17][CH2:12][CH2:10][CH2:11][CH2:15][CH:21]=[CH:29][C:43]([CH:38]=[CH:37][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])=[O:56])=[O:61])[O:66]1 |
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