| Properties | Image |
|---|
| MNX_ID | MNXM1186034 |
 |
| reference | envipathM:...b935ed5581f5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | STKYIVUUPLQUMD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-22-30-36-47(58)53(62)54(63)66-43(41-64-51(60)38-31-25-19-23-28-34-45(56)44(55)33-27-21-11-8-5-2)42-65-52(61)39-32-26-20-24-29-35-46(57)48(59)40-50-49(67-50)37-9-6-3/h12-13,15-16,21,27,43-44,46-50,53,55,57-59,62H,4-11,14,17-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC(=O)C(O)CC=CCCCC)COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-22-30-36-47(58)53(62)54(63)66-43(41-64-51(60)38-31-25-19-23-28-34-45(56)44(55)33-27-21-11-8-5-2)42-65-52(61)39-32-26-20-24-29-35-46(57)48(59)40-50-49(67-50)37-9-6-3/h12-13,15-16,21,27,43-44,46-50,53,55,57-59,62H,4-11,14,17-20,22-26,28-42H2,1-3H3/b13-12?,16-15?,27-21?/t43?,44?,46?,47?,48?,49?,50?,53? |
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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][CH2:22][CH2:30][CH2:36][CH:47]([CH:53]([C:54](=[O:63])[O:66][CH:43]([CH2:41][O:64][C:51]([CH2:38][CH2:31][CH2:25][CH2:19][CH2:23][CH2:28][CH2:34][C:45]([CH:44]([CH2:33][CH:27]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:60])[CH2:42][O:65][C:52]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:29][CH2:35][CH:46]([CH:48]([CH2:40][CH:50]1[CH:49]([CH2:37][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:59])[OH:57])=[O:61])[OH:62])[OH:58] |
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