| Properties | Image |
|---|
| MNX_ID | MNXM1177443 |
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| reference | envipathM:...9fa2f666bdfa |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JVRSMBRELHMBGA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-16-24-32-44(56)53(61)45(57)33-25-21-22-29-38-52(60)64-41-43(65-54(62)46(58)34-26-18-14-12-10-11-13-17-23-31-42(55)30-6-3)40-63-51(59)37-28-20-15-19-27-36-48-50(67-48)39-49-47(66-49)35-8-5-2/h11,13,16,23-24,31,42-45,47-50,53,55-57,61H,4-10,12,14-15,17-22,25-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(=O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-16-24-32-44(56)53(61)45(57)33-25-21-22-29-38-52(60)64-41-43(65-54(62)46(58)34-26-18-14-12-10-11-13-17-23-31-42(55)30-6-3)40-63-51(59)37-28-20-15-19-27-36-48-50(67-48)39-49-47(66-49)35-8-5-2/h11,13,16,23-24,31,42-45,47-50,53,55-57,61H,4-10,12,14-15,17-22,25-30,32-41H2,1-3H3/b13-11?,24-16?,31-23?/t42?,43?,44?,45?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:24][CH2:32][CH:44]([CH:53]([CH:45]([CH2:33][CH2:25][CH2:21][CH2:22][CH2:29][CH2:38][C:52](=[O:60])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:19][CH2:27][CH2:36][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:35][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:59])[O:65][C:54]([C:46]([CH2:34][CH2:26][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:58])=[O:62])[OH:57])[OH:61])[OH:56] |
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