| Properties | Image |
|---|
| MNX_ID | MNXM1179113 |
 |
| reference | envipathM:...4a55615a0ff9 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | BECOCKMRWPWRIG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-10-15-24-32-44(56)45(57)33-25-18-19-26-34-46(58)53(61)63-40-43(65-52(60)38-29-17-14-12-13-16-23-31-42(55)30-22-11-8-5-2)41-64-54(62)47(59)35-27-20-21-28-37-49-51(67-49)39-50-48(66-50)36-9-6-3/h22-23,30-31,42-51,55-59H,4-21,24-29,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC(O)C(O)CCCCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-10-15-24-32-44(56)45(57)33-25-18-19-26-34-46(58)53(61)63-40-43(65-52(60)38-29-17-14-12-13-16-23-31-42(55)30-22-11-8-5-2)41-64-54(62)47(59)35-27-20-21-28-37-49-51(67-49)39-50-48(66-50)36-9-6-3/h22-23,30-31,42-51,55-59H,4-21,24-29,32-41H2,1-3H3/b30-22?,31-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:15][CH2:24][CH2:32][CH:44]([CH:45]([CH2:33][CH2:25][CH2:18][CH2:19][CH2:26][CH2:34][CH:46]([C:53](=[O:61])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:54]([CH:47]([CH2:35][CH2:27][CH2:20][CH2:21][CH2:28][CH2:37][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]2)[O:67]1)[OH:59])=[O:62])[O:65][C:52]([CH2:38][CH2:29][CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:23]=[CH:31][CH:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:60])[OH:58])[OH:57])[OH:56] |
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