| Properties | Image |
|---|
| MNX_ID | MNXM1197129 |
 |
| reference | envipathM:...dbcd1112c68d |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | YYRNJUUQUBQSKV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-13-21-30-43(56)31-22-20-23-33-46(58)54(62)65-44(41-63-52(60)37-27-17-10-14-24-34-48-49(66-48)35-25-16-12-19-29-39-55)42-64-53(61)38-28-18-11-15-26-36-50-51(67-50)40-47(59)45(57)32-6-4-2/h8-9,16,21,25,30,39,43-51,56-59H,3-7,10-15,17-20,22-24,26-29,31-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-13-21-30-43(56)31-22-20-23-33-46(58)54(62)65-44(41-63-52(60)37-27-17-10-14-24-34-48-49(66-48)35-25-16-12-19-29-39-55)42-64-53(61)38-28-18-11-15-26-36-50-51(67-50)40-47(59)45(57)32-6-4-2/h8-9,16,21,25,30,39,43-51,56-59H,3-7,10-15,17-20,22-24,26-29,31-38,40-42H2,1-2H3/b9-8?,25-16?,30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:13][CH:21]=[CH:30][CH:43]([CH2:31][CH2:22][CH2:20][CH2:23][CH2:33][CH:46]([C:54](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:52]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:14][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH:25]=[CH:16][CH2:12][CH2:19][CH2:29][CH:39]=[O:55])[O:66]1)=[O:60])[CH2:42][O:64][C:53]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:15][CH2:26][CH2:36][CH:50]1[CH:51]([CH2:40][CH:47]([CH:45]([CH2:32][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[O:67]1)=[O:61])[OH:58])[OH:56] |
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