| Properties | Image |
|---|
| MNX_ID | MNXM1192893 |
 |
| reference | envipathM:...37bce12d5d15 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | HHCXBMLZUJPXGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-4-7-9-16-27-36-49-53(67-49)45(57)33-24-20-22-28-37-51(60)63-40-43(65-52(61)38-29-18-15-13-11-10-12-14-17-23-31-42(55)30-6-3)41-64-54(62)46(58)34-25-19-21-26-35-48-50(66-48)39-47(59)44(56)32-8-5-2/h12,14,16,27,42-50,53,55-59H,4-11,13,15,17-26,28-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-4-7-9-16-27-36-49-53(67-49)45(57)33-24-20-22-28-37-51(60)63-40-43(65-52(61)38-29-18-15-13-11-10-12-14-17-23-31-42(55)30-6-3)41-64-54(62)46(58)34-25-19-21-26-35-48-50(66-48)39-47(59)44(56)32-8-5-2/h12,14,16,27,42-50,53,55-59H,4-11,13,15,17-26,28-41H2,1-3H3/b14-12?,27-16?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:27][CH2:36][CH:49]1[CH:53]([CH:45]([CH2:33][CH2:24][CH2:20][CH2:22][CH2:28][CH2:37][C:51](=[O:60])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:54]([CH:46]([CH2:34][CH2:25][CH2:19][CH2:21][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:39][CH:47]([CH:44]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:56])[OH:59])[O:66]2)[OH:58])=[O:62])[O:65][C:52]([CH2:38][CH2:29][CH2:18][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:17][CH2:23][CH2:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:61])[OH:57])[O:67]1 |
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