| Properties | Image |
|---|
| MNX_ID | MNXM1137914 |
 |
| reference | envipathM:...975b5a8ecbdf |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | WZEWKDXYWIBWBD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-10-12-18-28-41(56)29-19-15-16-25-36-51(60)65-42(39-63-50(59)35-24-14-11-13-22-34-47-53(68-47)44(58)31-20-8-6-4-2)40-64-54(62)52(61)43(57)30-21-17-23-32-45-48(66-45)38-49-46(67-49)33-26-27-37-55/h9-10,18,20,28,31,41-49,52-53,55-58,61H,3-8,11-17,19,21-27,29-30,32-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-10-12-18-28-41(56)29-19-15-16-25-36-51(60)65-42(39-63-50(59)35-24-14-11-13-22-34-47-53(68-47)44(58)31-20-8-6-4-2)40-64-54(62)52(61)43(57)30-21-17-23-32-45-48(66-45)38-49-46(67-49)33-26-27-37-55/h9-10,18,20,28,31,41-49,52-53,55-58,61H,3-8,11-17,19,21-27,29-30,32-40H2,1-2H3/b10-9?,28-18?,31-20?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:12][CH:18]=[CH:28][CH:41]([CH2:29][CH2:19][CH2:15][CH2:16][CH2:25][CH2:36][C:51](=[O:60])[O:65][CH:42]([CH2:39][O:63][C:50]([CH2:35][CH2:24][CH2:14][CH2:11][CH2:13][CH2:22][CH2:34][CH:47]1[CH:53]([CH:44]([CH:31]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:58])[O:68]1)=[O:59])[CH2:40][O:64][C:54]([CH:52]([CH:43]([CH2:30][CH2:21][CH2:17][CH2:23][CH2:32][CH:45]1[CH:48]([CH2:38][CH:49]2[CH:46]([CH2:33][CH2:26][CH2:27][CH2:37][OH:55])[O:67]2)[O:66]1)[OH:57])[OH:61])=[O:62])[OH:56] |
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