| Properties | Image |
|---|
| MNX_ID | MNXM1181891 |
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| reference | envipathM:...2212d58f2160 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | YPQHYWNKTZIILC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-15-25-35-48-49(66-48)36-26-19-14-21-28-38-53(61)64-42-44(65-54(62)46(58)33-24-17-12-10-8-9-11-16-22-30-43(56)31-29-39-55)41-63-52(60)37-27-20-13-18-23-32-45(57)47(59)40-51-50(67-51)34-6-4-2/h9,11,22,30,43-51,55-59H,3-8,10,12-21,23-29,31-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-15-25-35-48-49(66-48)36-26-19-14-21-28-38-53(61)64-42-44(65-54(62)46(58)33-24-17-12-10-8-9-11-16-22-30-43(56)31-29-39-55)41-63-52(60)37-27-20-13-18-23-32-45(57)47(59)40-51-50(67-51)34-6-4-2/h9,11,22,30,43-51,55-59H,3-8,10,12-21,23-29,31-42H2,1-2H3/b11-9?,30-22?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:15][CH2:25][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:26][CH2:19][CH2:14][CH2:21][CH2:28][CH2:38][C:53](=[O:61])[O:64][CH2:42][CH:44]([CH2:41][O:63][C:52]([CH2:37][CH2:27][CH2:20][CH2:13][CH2:18][CH2:23][CH2:32][CH:45]([CH:47]([CH2:40][CH:51]2[CH:50]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:59])[OH:57])=[O:60])[O:65][C:54]([CH:46]([CH2:33][CH2:24][CH2:17][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:16][CH:22]=[CH:30][CH:43]([CH2:31][CH2:29][CH2:39][OH:55])[OH:56])[OH:58])=[O:62])[O:66]1 |
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