| Properties | Image |
|---|
| MNX_ID | MNXM1191745 |
 |
| reference | envipathM:...9553e2c8a8dd |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | ULHBRRNVRALUQW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-36-50(60)65-41(39-63-49(59)35-26-20-17-18-25-33-48-53(68-48)51(61)52-47(67-52)31-6-4-2)40-64-54(62)44(58)29-23-21-22-24-32-45-46(66-45)34-28-30-42(56)43(57)37-38-55/h8-9,11-12,28,30,41-48,51-53,55-58,61H,3-7,10,13-27,29,31-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)C(O)CCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-27-36-50(60)65-41(39-63-49(59)35-26-20-17-18-25-33-48-53(68-48)51(61)52-47(67-52)31-6-4-2)40-64-54(62)44(58)29-23-21-22-24-32-45-46(66-45)34-28-30-42(56)43(57)37-38-55/h8-9,11-12,28,30,41-48,51-53,55-58,61H,3-7,10,13-27,29,31-40H2,1-2H3/b9-8?,12-11?,30-28?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:27][CH2:36][C:50](=[O:60])[O:65][CH:41]([CH2:39][O:63][C:49]([CH2:35][CH2:26][CH2:20][CH2:17][CH2:18][CH2:25][CH2:33][CH:48]1[CH:53]([CH:51]([CH:52]2[CH:47]([CH2:31][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:61])[O:68]1)=[O:59])[CH2:40][O:64][C:54]([CH:44]([CH2:29][CH2:23][CH2:21][CH2:22][CH2:24][CH2:32][CH:45]1[CH:46]([CH2:34][CH:28]=[CH:30][CH:42]([CH:43]([CH2:37][CH2:38][OH:55])[OH:57])[OH:56])[O:66]1)[OH:58])=[O:62] |
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