| Properties | Image |
|---|
| MNX_ID | MNXM1177371 |
 |
| reference | envipathM:...b70ab8f0577e |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | HTKJBFDOGJRQTG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-35-52(62)65-41(39-63-50(60)33-27-21-18-19-26-32-46-53(67-46)42(56)30-24-8-6-4-2)40-64-51(61)34-28-23-22-25-31-43(57)54-49(68-54)37-48-47(66-48)36-44(58)45(59)38-55/h9-10,12-13,24,30,41-49,53-59H,3-8,11,14-23,25-29,31-40H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CC(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-20-29-35-52(62)65-41(39-63-50(60)33-27-21-18-19-26-32-46-53(67-46)42(56)30-24-8-6-4-2)40-64-51(61)34-28-23-22-25-31-43(57)54-49(68-54)37-48-47(66-48)36-44(58)45(59)38-55/h9-10,12-13,24,30,41-49,53-59H,3-8,11,14-23,25-29,31-40H2,1-2H3/b10-9?,13-12?,30-24?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:29][CH2:35][C:52](=[O:62])[O:65][CH:41]([CH2:39][O:63][C:50]([CH2:33][CH2:27][CH2:21][CH2:18][CH2:19][CH2:26][CH2:32][CH:46]1[CH:53]([CH:42]([CH:30]=[CH:24][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])[O:67]1)=[O:60])[CH2:40][O:64][C:51]([CH2:34][CH2:28][CH2:23][CH2:22][CH2:25][CH2:31][CH:43]([CH:54]1[CH:49]([CH2:37][CH:48]2[CH:47]([CH2:36][CH:44]([CH:45]([CH2:38][OH:55])[OH:59])[OH:58])[O:66]2)[O:68]1)[OH:57])=[O:61] |
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