| Properties | Image |
|---|
| MNX_ID | MNXM1175680 |
 |
| reference | envipathM:...6f6ff2633f02 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | MCWWYNBOAKWPDH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-27-37-51(59)64-42(39-62-50(58)36-26-21-20-23-32-44(57)53-47(67-53)35-28-30-41(55)29-6-3)40-63-54(61)52(60)43(56)31-24-22-25-34-46-49(66-46)38-48-45(65-48)33-8-5-2/h10-11,13-14,28,30,41-49,52-53,55-57,60H,4-9,12,15-27,29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CC(O)CCC)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-27-37-51(59)64-42(39-62-50(58)36-26-21-20-23-32-44(57)53-47(67-53)35-28-30-41(55)29-6-3)40-63-54(61)52(60)43(56)31-24-22-25-34-46-49(66-46)38-48-45(65-48)33-8-5-2/h10-11,13-14,28,30,41-49,52-53,55-57,60H,4-9,12,15-27,29,31-40H2,1-3H3/b11-10?,14-13?,30-28?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:27][CH2:37][C:51](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:26][CH2:21][CH2:20][CH2:23][CH2:32][CH:44]([CH:53]1[CH:47]([CH2:35][CH:28]=[CH:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])[O:67]1)[OH:57])=[O:58])[CH2:40][O:63][C:54]([CH:52]([CH:43]([CH2:31][CH2:24][CH2:22][CH2:25][CH2:34][CH:46]1[CH:49]([CH2:38][CH:48]2[CH:45]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)[OH:56])[OH:60])=[O:61] |
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