| Properties | Image |
|---|
| MNX_ID | MNXM1194817 |
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| reference | envipathM:...d6e5a0c6b7fc |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | UIRQGKJMAXAMCQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(61)65-44(42-63-52(60)39-32-25-21-23-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-54(62)48(58)37-31-27-26-30-36-47(57)49(59)41-51-50(66-51)38-9-6-3/h15-16,22,28,44-45,47-51,55,57-59H,4-14,17-21,23-27,29-43H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(=O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(61)65-44(42-63-52(60)39-32-25-21-23-29-35-46(56)45(55)34-28-22-11-8-5-2)43-64-54(62)48(58)37-31-27-26-30-36-47(57)49(59)41-51-50(66-51)38-9-6-3/h15-16,22,28,44-45,47-51,55,57-59H,4-14,17-21,23-27,29-43H2,1-3H3/b16-15?,28-22?/t44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:33][CH2:40][C:53](=[O:61])[O:65][CH:44]([CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:25][CH2:21][CH2:23][CH2:29][CH2:35][C:46]([CH:45]([CH2:34][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:60])[CH2:43][O:64][C:54]([CH:48]([CH2:37][CH2:31][CH2:27][CH2:26][CH2:30][CH2:36][CH:47]([CH:49]([CH2:41][CH:51]1[CH:50]([CH2:38][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:59])[OH:57])[OH:58])=[O:62] |
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