| Properties | Image |
|---|
| MNX_ID | MNXM1138158 |
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| reference | envipathM:...13fb9f8a5710 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KLQMCLWRIFEQTM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-23-34-48-49(66-48)35-25-16-15-22-33-46(58)54(62)64-41-44(65-53(61)38-27-17-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)40-63-52(60)37-26-13-10-12-24-36-50-51(67-50)39-47(59)45(57)32-8-5-2/h11,20-21,23,29,31,42-44,46-51,55-56,58-59H,4-10,12-19,22,24-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-23-34-48-49(66-48)35-25-16-15-22-33-46(58)54(62)64-41-44(65-53(61)38-27-17-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)40-63-52(60)37-26-13-10-12-24-36-50-51(67-50)39-47(59)45(57)32-8-5-2/h11,20-21,23,29,31,42-44,46-51,55-56,58-59H,4-10,12-19,22,24-28,30,32-41H2,1-3H3/b23-11?,29-20?,31-21?/t42?,43?,44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:23][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:25][CH2:16][CH2:15][CH2:22][CH2:33][CH:46]([C:54](=[O:62])[O:64][CH2:41][CH:44]([CH2:40][O:63][C:52]([CH2:37][CH2:26][CH2:13][CH2:10][CH2:12][CH2:24][CH2:36][CH:50]2[CH:51]([CH2:39][CH:47]([C:45]([CH2:32][CH2:8][CH2:5][CH3:2])=[O:57])[OH:59])[O:67]2)=[O:60])[O:65][C:53]([CH2:38][CH2:27][CH2:17][CH2:14][CH2:19][CH2:30][CH:43]([CH:31]=[CH:21][CH2:18][CH:20]=[CH:29][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:56])=[O:61])[OH:58])[O:66]1 |
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