| Properties | Image |
|---|
| MNX_ID | MNXM1196181 |
 |
| reference | envipathM:...99a1b072a6e4 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PRXOWBGSSLRDRH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-16-25-33-45(56)46(57)34-27-21-22-28-36-48(59)54(63)65-42-44(66-53(62)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-64-52(61)38-29-20-15-18-26-35-47(58)49(60)40-51-50(67-51)37-9-6-3/h16,23-25,31-32,43-46,48-51,55-57,59-60H,4-15,17-22,26-30,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(=O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-16-25-33-45(56)46(57)34-27-21-22-28-36-48(59)54(63)65-42-44(66-53(62)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-64-52(61)38-29-20-15-18-26-35-47(58)49(60)40-51-50(67-51)37-9-6-3/h16,23-25,31-32,43-46,48-51,55-57,59-60H,4-15,17-22,26-30,33-42H2,1-3H3/b25-16?,31-23?,32-24?/t43?,44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:25][CH2:33][CH:45]([CH:46]([CH2:34][CH2:27][CH2:21][CH2:22][CH2:28][CH2:36][CH:48]([C:54](=[O:63])[O:65][CH2:42][CH:44]([CH2:41][O:64][C:52]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:18][CH2:26][CH2:35][C:47]([CH:49]([CH2:40][CH:51]1[CH:50]([CH2:37][CH2:9][CH2:6][CH3:3])[O:67]1)[OH:60])=[O:58])=[O:61])[O:66][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:62])[OH:59])[OH:57])[OH:56] |
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