| Properties | Image |
|---|
| MNX_ID | MNXM1189224 |
 |
| reference | envipathM:...d63cb0e87ca4 |
| formula | C54H98O13 |
| global charge | 0 |
| mol weight | 955.365 |
| InChIKey | LRZOFTFFRUTXJP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O13/c1-3-5-7-20-27-35-46(56)47(57)36-28-21-18-24-30-38-52(62)65-43-45(67-54(64)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)44-66-53(63)39-31-25-19-22-29-37-49(59)51(61)42-50(60)48(58)34-6-4-2/h8-9,13,15,20,27,45-51,55-61H,3-7,10-12,14,16-19,21-26,28-44H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H98O13/c1-3-5-7-20-27-35-46(56)47(57)36-28-21-18-24-30-38-52(62)65-43-45(67-54(64)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)44-66-53(63)39-31-25-19-22-29-37-49(59)51(61)42-50(60)48(58)34-6-4-2/h8-9,13,15,20,27,45-51,55-61H,3-7,10-12,14,16-19,21-26,28-44H2,1-2H3/b9-8?,15-13?,27-20?/t45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:27][CH2:35][CH:46]([CH:47]([CH2:36][CH2:28][CH2:21][CH2:18][CH2:24][CH2:30][CH2:38][C:52](=[O:62])[O:65][CH2:43][CH:45]([CH2:44][O:66][C:53]([CH2:39][CH2:31][CH2:25][CH2:19][CH2:22][CH2:29][CH2:37][CH:49]([CH:51]([CH2:42][CH:50]([CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[OH:58])[OH:60])[OH:61])[OH:59])=[O:63])[O:67][C:54]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:26][CH2:33][CH2:41][OH:55])=[O:64])[OH:57])[OH:56] |
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