| Properties | Image |
|---|
| MNX_ID | MNXM1196362 |
 |
| reference | envipathM:...30074ef69037 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | SMMYIRYFYLWPNB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-10-11-12-19-28-42(56)29-20-13-17-25-37-52(60)64-43(39-62-51(59)36-24-18-15-21-31-44(57)53-48(67-53)35-26-30-41(55)27-6-3)40-63-54(61)45(58)32-22-14-16-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h10-11,19,26,28,30,41-50,53,55-58H,4-9,12-18,20-25,27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-10-11-12-19-28-42(56)29-20-13-17-25-37-52(60)64-43(39-62-51(59)36-24-18-15-21-31-44(57)53-48(67-53)35-26-30-41(55)27-6-3)40-63-54(61)45(58)32-22-14-16-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h10-11,19,26,28,30,41-50,53,55-58H,4-9,12-18,20-25,27,29,31-40H2,1-3H3/b11-10?,28-19?,30-26?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:19]=[CH:28][CH:42]([CH2:29][CH2:20][CH2:13][CH2:17][CH2:25][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:39][O:62][C:51]([CH2:36][CH2:24][CH2:18][CH2:15][CH2:21][CH2:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH:26]=[CH:30][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[O:67]1)[OH:57])=[O:59])[CH2:40][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:14][CH2:16][CH2:23][CH2:34][CH:47]1[CH:50]([CH2:38][CH:49]2[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)[OH:58])=[O:61])[OH:56] |
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