| Properties | Image |
|---|
| MNX_ID | MNXM1179213 |
 |
| reference | envipathM:...31346e6f80a4 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | RGUUIMJZLCSBNI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-16-25-35-48-49(65-48)36-26-19-15-22-28-38-53(60)63-43-45(64-54(61)39-29-20-13-11-9-8-10-12-17-23-31-44(56)32-30-40-55)42-62-52(59)37-27-21-14-18-24-33-46(57)47(58)41-51-50(66-51)34-6-4-2/h16,23,25,31,44-51,55-58H,3-15,17-22,24,26-30,32-43H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-16-25-35-48-49(65-48)36-26-19-15-22-28-38-53(60)63-43-45(64-54(61)39-29-20-13-11-9-8-10-12-17-23-31-44(56)32-30-40-55)42-62-52(59)37-27-21-14-18-24-33-46(57)47(58)41-51-50(66-51)34-6-4-2/h16,23,25,31,44-51,55-58H,3-15,17-22,24,26-30,32-43H2,1-2H3/b25-16?,31-23?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:16]=[CH:25][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:38][C:53](=[O:60])[O:63][CH2:43][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:21][CH2:14][CH2:18][CH2:24][CH2:33][CH:46]([CH:47]([CH2:41][CH:51]2[CH:50]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]2)[OH:58])[OH:57])=[O:59])[O:64][C:54]([CH2:39][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:17][CH:23]=[CH:31][CH:44]([CH2:32][CH2:30][CH2:40][OH:55])[OH:56])=[O:61])[O:65]1 |
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