| Properties | Image |
|---|
| MNX_ID | MNXM1186056 |
 |
| reference | envipathM:...f7dd222a2560 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | BXYGPPHAEWPJGA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(60)65-43(41-63-53(61)45(57)33-24-20-22-27-36-49-48(66-49)35-26-18-8-6-4-2)42-64-54(62)46(58)34-25-21-23-28-37-50-51(67-50)40-47(59)44(56)32-30-31-39-55/h9-10,12-13,18,26,43-44,46-51,55-56,58-59H,3-8,11,14-17,19-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-29-38-52(60)65-43(41-63-53(61)45(57)33-24-20-22-27-36-49-48(66-49)35-26-18-8-6-4-2)42-64-54(62)46(58)34-25-21-23-28-37-50-51(67-50)40-47(59)44(56)32-30-31-39-55/h9-10,12-13,18,26,43-44,46-51,55-56,58-59H,3-8,11,14-17,19-25,27-42H2,1-2H3/b10-9?,13-12?,26-18?/t43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:19][CH2:29][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:41][O:63][C:53]([C:45]([CH2:33][CH2:24][CH2:20][CH2:22][CH2:27][CH2:36][CH:49]1[CH:48]([CH2:35][CH:26]=[CH:18][CH2:8][CH2:6][CH2:4][CH3:2])[O:66]1)=[O:57])=[O:61])[CH2:42][O:64][C:54]([CH:46]([CH2:34][CH2:25][CH2:21][CH2:23][CH2:28][CH2:37][CH:50]1[CH:51]([CH2:40][CH:47]([CH:44]([CH2:32][CH2:30][CH2:31][CH2:39][OH:55])[OH:56])[OH:59])[O:67]1)[OH:58])=[O:62] |
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