| Properties | Image |
|---|
| MNX_ID | MNXM1191783 |
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| reference | envipathM:...99de6d467ee0 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PAXCIBLFQXILRH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-10-21-31-46-47(65-46)32-22-11-8-13-24-34-52(59)62-40-44(64-54(61)45(58)29-20-17-19-28-43(57)37-36-42(56)27-18-15-16-26-38-55)41-63-53(60)35-25-14-9-12-23-33-49-51(67-49)39-50-48(66-50)30-6-4-2/h18,27,36-37,42-51,55-58H,3-17,19-26,28-35,38-41H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCC(O)C=CC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-10-21-31-46-47(65-46)32-22-11-8-13-24-34-52(59)62-40-44(64-54(61)45(58)29-20-17-19-28-43(57)37-36-42(56)27-18-15-16-26-38-55)41-63-53(60)35-25-14-9-12-23-33-49-51(67-49)39-50-48(66-50)30-6-4-2/h18,27,36-37,42-51,55-58H,3-17,19-26,28-35,38-41H2,1-2H3/b27-18?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:10][CH2:21][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:22][CH2:11][CH2:8][CH2:13][CH2:24][CH2:34][C:52](=[O:59])[O:62][CH2:40][CH:44]([CH2:41][O:63][C:53]([CH2:35][CH2:25][CH2:14][CH2:9][CH2:12][CH2:23][CH2:33][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:30][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:64][C:54]([CH:45]([CH2:29][CH2:20][CH2:17][CH2:19][CH2:28][CH:43]([CH:37]=[CH:36][CH:42]([CH:27]=[CH:18][CH2:15][CH2:16][CH2:26][CH2:38][OH:55])[OH:56])[OH:57])[OH:58])=[O:61])[O:65]1 |
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