| Properties | Image |
|---|
| MNX_ID | MNXM1187778 |
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| reference | envipathM:...657f0110c774 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | XGXBNWJBCRGYFB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-33-50-51(67-50)39-47(59)46(58)32-23-17-14-20-25-36-52(60)63-41-45(65-54(62)38-27-19-13-11-9-7-6-8-10-12-16-22-30-44(57)40-55)42-64-53(61)37-26-21-15-18-24-34-48-49(66-48)35-28-31-43(56)29-4-2/h6,8,28,31,43-51,55-59H,3-5,7,9-27,29-30,32-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCC=CCCCCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-33-50-51(67-50)39-47(59)46(58)32-23-17-14-20-25-36-52(60)63-41-45(65-54(62)38-27-19-13-11-9-7-6-8-10-12-16-22-30-44(57)40-55)42-64-53(61)37-26-21-15-18-24-34-48-49(66-48)35-28-31-43(56)29-4-2/h6,8,28,31,43-51,55-59H,3-5,7,9-27,29-30,32-42H2,1-2H3/b8-6?,31-28?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:33][CH:50]1[CH:51]([CH2:39][CH:47]([CH:46]([CH2:32][CH2:23][CH2:17][CH2:14][CH2:20][CH2:25][CH2:36][C:52](=[O:60])[O:63][CH2:41][CH:45]([CH2:42][O:64][C:53]([CH2:37][CH2:26][CH2:21][CH2:15][CH2:18][CH2:24][CH2:34][CH:48]2[CH:49]([CH2:35][CH:28]=[CH:31][CH:43]([CH2:29][CH2:4][CH3:2])[OH:56])[O:66]2)=[O:61])[O:65][C:54]([CH2:38][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:6]=[CH:8][CH2:10][CH2:12][CH2:16][CH2:22][CH2:30][CH:44]([CH2:40][OH:55])[OH:57])=[O:62])[OH:58])[OH:59])[O:67]1 |
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