| Properties | Image |
|---|
| MNX_ID | MNXM1196029 |
 |
| reference | envipathM:...38f3fc81910d |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | CKSHBISRGSFTQV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-30-37-48(59)54(63)66-43(41-64-52(61)39-32-24-20-23-28-34-45(56)44(55)33-27-21-11-8-5-2)42-65-53(62)47(58)36-31-26-25-29-35-46(57)49(60)40-51-50(67-51)38-9-6-3/h12-13,15-16,21,27,43-51,55-60H,4-11,14,17-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-12-13-14-15-16-17-18-19-22-30-37-48(59)54(63)66-43(41-64-52(61)39-32-24-20-23-28-34-45(56)44(55)33-27-21-11-8-5-2)42-65-53(62)47(58)36-31-26-25-29-35-46(57)49(60)40-51-50(67-51)38-9-6-3/h12-13,15-16,21,27,43-51,55-60H,4-11,14,17-20,22-26,28-42H2,1-3H3/b13-12?,16-15?,27-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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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][CH2:22][CH2:30][CH2:37][CH:48]([C:54](=[O:63])[O:66][CH:43]([CH2:41][O:64][C:52]([CH2:39][CH2:32][CH2:24][CH2:20][CH2:23][CH2:28][CH2:34][CH:45]([CH:44]([CH2:33][CH:27]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:61])[CH2:42][O:65][C:53]([CH:47]([CH2:36][CH2:31][CH2:26][CH2:25][CH2:29][CH2:35][CH:46]([CH:49]([CH2:40][CH:51]1[CH:50]([CH2:38][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:60])[OH:57])[OH:58])=[O:62])[OH:59] |
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