| Properties | Image |
|---|
| MNX_ID | MNXM1195519 |
 |
| reference | envipathM:...545bb9fdb964 |
| formula | C54H98O13 |
| global charge | 0 |
| mol weight | 955.365 |
| InChIKey | URPPAIXWHARROG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O13/c1-4-7-10-16-24-33-46(57)47(58)35-26-18-14-21-28-37-52(61)64-41-43(66-54(63)39-30-20-13-11-12-17-25-34-45(56)44(55)32-23-8-5-2)42-65-53(62)38-29-22-15-19-27-36-50-51(67-50)40-49(60)48(59)31-9-6-3/h16,24-25,34,43-51,55-60H,4-15,17-23,26-33,35-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CC(O)C(O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O13/c1-4-7-10-16-24-33-46(57)47(58)35-26-18-14-21-28-37-52(61)64-41-43(66-54(63)39-30-20-13-11-12-17-25-34-45(56)44(55)32-23-8-5-2)42-65-53(62)38-29-22-15-19-27-36-50-51(67-50)40-49(60)48(59)31-9-6-3/h16,24-25,34,43-51,55-60H,4-15,17-23,26-33,35-42H2,1-3H3/b24-16?,34-25?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:24][CH2:33][CH:46]([CH:47]([CH2:35][CH2:26][CH2:18][CH2:14][CH2:21][CH2:28][CH2:37][C:52](=[O:61])[O:64][CH2:41][CH:43]([CH2:42][O:65][C:53]([CH2:38][CH2:29][CH2:22][CH2:15][CH2:19][CH2:27][CH2:36][CH:50]1[CH:51]([CH2:40][CH:49]([CH:48]([CH2:31][CH2:9][CH2:6][CH3:3])[OH:59])[OH:60])[O:67]1)=[O:62])[O:66][C:54]([CH2:39][CH2:30][CH2:20][CH2:13][CH2:11][CH2:12][CH2:17][CH:25]=[CH:34][CH:45]([CH:44]([CH2:32][CH2:23][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:63])[OH:58])[OH:57] |
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