| Properties | Image |
|---|
| MNX_ID | MNXM1180349 |
 |
| reference | envipathM:...5dc537350ad2 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | ANHKJXVUQUTRMW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-19-26-34-47-48(66-47)35-27-20-18-22-29-37-51(59)63-41-43(65-52(60)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)42-64-54(62)53(61)45(57)33-25-24-28-36-49-50(67-49)40-46(58)44(56)32-6-4-2/h13,15,19,26,43-50,53,55-58,61H,3-12,14,16-18,20-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)CCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-19-26-34-47-48(66-47)35-27-20-18-22-29-37-51(59)63-41-43(65-52(60)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)42-64-54(62)53(61)45(57)33-25-24-28-36-49-50(67-49)40-46(58)44(56)32-6-4-2/h13,15,19,26,43-50,53,55-58,61H,3-12,14,16-18,20-25,27-42H2,1-2H3/b15-13?,26-19?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:26][CH2:34][CH:47]1[CH:48]([CH2:35][CH2:27][CH2:20][CH2:18][CH2:22][CH2:29][CH2:37][C:51](=[O:59])[O:63][CH2:41][CH:43]([CH2:42][O:64][C:54]([CH:53]([CH:45]([CH2:33][CH2:25][CH2:24][CH2:28][CH2:36][CH:49]2[CH:50]([CH2:40][CH:46]([CH:44]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:56])[OH:58])[O:67]2)[OH:57])[OH:61])=[O:62])[O:65][C:52]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:23][CH2:31][CH2:39][OH:55])=[O:60])[O:66]1 |
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