| Properties | Image |
|---|
| MNX_ID | MNXM1182504 |
 |
| reference | envipathM:...3eb0dbb6487e |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | MCYSTARJCFKAIT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-20-15-22-29-37-49(58)62-40-43(64-54(61)44(57)32-25-19-14-12-10-8-9-11-13-18-24-31-42(56)39-55)41-63-50(59)38-30-23-16-21-28-36-48-53(67-48)51(60)52-47(66-52)33-6-4-2/h8-9,13,17-18,26,42-48,51-53,55-57,60H,3-7,10-12,14-16,19-25,27-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)C(O)CCCCCCC=CCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-17-26-34-45-46(65-45)35-27-20-15-22-29-37-49(58)62-40-43(64-54(61)44(57)32-25-19-14-12-10-8-9-11-13-18-24-31-42(56)39-55)41-63-50(59)38-30-23-16-21-28-36-48-53(67-48)51(60)52-47(66-52)33-6-4-2/h8-9,13,17-18,26,42-48,51-53,55-57,60H,3-7,10-12,14-16,19-25,27-41H2,1-2H3/b9-8?,18-13?,26-17?/t42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:17]=[CH:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:27][CH2:20][CH2:15][CH2:22][CH2:29][CH2:37][C:49](=[O:58])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:50]([CH2:38][CH2:30][CH2:23][CH2:16][CH2:21][CH2:28][CH2:36][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:33][CH2:6][CH2:4][CH3:2])[O:66]3)[OH:60])[O:67]2)=[O:59])[O:64][C:54]([CH:44]([CH2:32][CH2:25][CH2:19][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:18][CH2:24][CH2:31][CH:42]([CH2:39][OH:55])[OH:56])[OH:57])=[O:61])[O:65]1 |
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