| Properties | Image |
|---|
| MNX_ID | MNXM1187796 |
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| reference | envipathM:...35e7b6e1490a |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KHNNNGZQAWFVAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-24-31-43(56)52-47(66-52)35-27-19-18-21-28-36-50(59)62-40-42(64-51(60)37-29-20-16-14-12-10-8-9-11-13-15-17-22-30-38-55)41-63-54(61)45(58)33-26-23-25-32-44(57)53-49(67-53)39-48-46(65-48)34-6-4-2/h8-9,13,15,24,31,42-49,52-53,55-58H,3-7,10-12,14,16-23,25-30,32-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-24-31-43(56)52-47(66-52)35-27-19-18-21-28-36-50(59)62-40-42(64-51(60)37-29-20-16-14-12-10-8-9-11-13-15-17-22-30-38-55)41-63-54(61)45(58)33-26-23-25-32-44(57)53-49(67-53)39-48-46(65-48)34-6-4-2/h8-9,13,15,24,31,42-49,52-53,55-58H,3-7,10-12,14,16-23,25-30,32-41H2,1-2H3/b9-8?,15-13?,31-24?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:24]=[CH:31][CH:43]([CH:52]1[CH:47]([CH2:35][CH2:27][CH2:19][CH2:18][CH2:21][CH2:28][CH2:36][C:50](=[O:59])[O:62][CH2:40][CH:42]([CH2:41][O:63][C:54]([CH:45]([CH2:33][CH2:26][CH2:23][CH2:25][CH2:32][CH:44]([CH:53]2[CH:49]([CH2:39][CH:48]3[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]3)[O:67]2)[OH:57])[OH:58])=[O:61])[O:64][C:51]([CH2:37][CH2:29][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])=[O:60])[O:66]1)[OH:56] |
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