| Properties | Image |
|---|
| MNX_ID | MNXM1190739 |
 |
| reference | envipathM:...c6dccbdb4f14 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SPKQDAUQVRIWMB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-30-42(56)38-45(58)53-48(67-53)34-26-22-21-24-31-44(57)54(61)63-41-43(64-52(60)36-28-19-15-13-11-9-7-8-10-12-14-16-23-29-37-55)40-62-51(59)35-27-20-17-18-25-33-47-50(66-47)39-49-46(65-49)32-6-4-2/h7-8,12,14,42-44,46-50,53,55-57H,3-6,9-11,13,15-41H2,1-2H3 |
| SMILES | CCCCC(O)CC(=O)C1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-30-42(56)38-45(58)53-48(67-53)34-26-22-21-24-31-44(57)54(61)63-41-43(64-52(60)36-28-19-15-13-11-9-7-8-10-12-14-16-23-29-37-55)40-62-51(59)35-27-20-17-18-25-33-47-50(66-47)39-49-46(65-49)32-6-4-2/h7-8,12,14,42-44,46-50,53,55-57H,3-6,9-11,13,15-41H2,1-2H3/b8-7?,14-12?/t42?,43?,44?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:42]([CH2:38][C:45]([CH:53]1[CH:48]([CH2:34][CH2:26][CH2:22][CH2:21][CH2:24][CH2:31][CH:44]([C:54](=[O:61])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:51]([CH2:35][CH2:27][CH2:20][CH2:17][CH2:18][CH2:25][CH2:33][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:32][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:36][CH2:28][CH2:19][CH2:15][CH2:13][CH2:11][CH2:9][CH:7]=[CH:8][CH2:10][CH:12]=[CH:14][CH2:16][CH2:23][CH2:29][CH2:37][OH:55])=[O:60])[OH:57])[O:67]1)=[O:58])[OH:56] |
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