| Properties | Image |
|---|
| MNX_ID | MNXM1183072 |
 |
| reference | envipathM:...896395e0d78f |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | HNQXBMJBZRRPBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-38-54(62)65-43(42-64-53(61)37-27-23-18-20-25-34-50-51(67-50)39-46(58)44(56)31-6-4-2)41-63-52(60)36-26-22-17-19-24-33-48-49(66-48)35-30-29-32-45(57)47(59)40-55/h8-9,11-12,29-30,43-45,47-51,55-57,59H,3-7,10,13-28,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCC(O)C(O)CO)COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-28-38-54(62)65-43(42-64-53(61)37-27-23-18-20-25-34-50-51(67-50)39-46(58)44(56)31-6-4-2)41-63-52(60)36-26-22-17-19-24-33-48-49(66-48)35-30-29-32-45(57)47(59)40-55/h8-9,11-12,29-30,43-45,47-51,55-57,59H,3-7,10,13-28,31-42H2,1-2H3/b9-8?,12-11?,30-29?/t43?,44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:28][CH2:38][C:54](=[O:62])[O:65][CH:43]([CH2:41][O:63][C:52]([CH2:36][CH2:26][CH2:22][CH2:17][CH2:19][CH2:24][CH2:33][CH:48]1[CH:49]([CH2:35][CH:30]=[CH:29][CH2:32][CH:45]([CH:47]([CH2:40][OH:55])[OH:59])[OH:57])[O:66]1)=[O:60])[CH2:42][O:64][C:53]([CH2:37][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:34][CH:50]1[CH:51]([CH2:39][C:46]([CH:44]([CH2:31][CH2:6][CH2:4][CH3:2])[OH:56])=[O:58])[O:67]1)=[O:61] |
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