| Properties | Image |
|---|
| MNX_ID | MNXM1203075 |
 |
| reference | envipathM:...a07e2301ab70 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | SAMCVIQJFSHJBO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-53(61)65-44(43-64-52(60)39-32-27-22-24-30-36-47(57)54(62)46(56)35-28-11-8-5-2)42-63-51(59)38-31-26-21-23-29-34-45(55)48(58)41-50-49(66-50)37-9-6-3/h12-13,15-16,28,35,44-47,49-50,55-57H,4-11,14,17-27,29-34,36-43H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)COC(=O)CCCCCCCC(O)C(=O)C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-53(61)65-44(43-64-52(60)39-32-27-22-24-30-36-47(57)54(62)46(56)35-28-11-8-5-2)42-63-51(59)38-31-26-21-23-29-34-45(55)48(58)41-50-49(66-50)37-9-6-3/h12-13,15-16,28,35,44-47,49-50,55-57H,4-11,14,17-27,29-34,36-43H2,1-3H3/b13-12?,16-15?,35-28?/t44?,45?,46?,47?,49?,50? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:25][CH2:33][CH2:40][C:53](=[O:61])[O:65][CH:44]([CH2:42][O:63][C:51]([CH2:38][CH2:31][CH2:26][CH2:21][CH2:23][CH2:29][CH2:34][CH:45]([C:48]([CH2:41][CH:50]1[CH:49]([CH2:37][CH2:9][CH2:6][CH3:3])[O:66]1)=[O:58])[OH:55])=[O:59])[CH2:43][O:64][C:52]([CH2:39][CH2:32][CH2:27][CH2:22][CH2:24][CH2:30][CH2:36][CH:47]([C:54]([CH:46]([CH:35]=[CH:28][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])=[O:62])[OH:57])=[O:60] |
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