| Properties | Image |
|---|
| MNX_ID | MNXM1187781 |
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| reference | envipathM:...a2b928cca53a |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | RSKVJHANCNTDSF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-27-48-50(67-48)38-51-49(68-51)30-19-8-6-10-21-31-52(60)63-39-44(65-53(61)32-22-14-11-16-25-42(57)34-36-43(58)35-33-41(56)24-4-2)40-64-54(62)45(59)26-17-12-13-20-29-47-46(66-47)28-18-9-7-15-23-37-55/h9,18,33-36,41-51,55-59H,3-8,10-17,19-32,37-40H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCCC(O)C=CC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-27-48-50(67-48)38-51-49(68-51)30-19-8-6-10-21-31-52(60)63-39-44(65-53(61)32-22-14-11-16-25-42(57)34-36-43(58)35-33-41(56)24-4-2)40-64-54(62)45(59)26-17-12-13-20-29-47-46(66-47)28-18-9-7-15-23-37-55/h9,18,33-36,41-51,55-59H,3-8,10-17,19-32,37-40H2,1-2H3/b18-9?,35-33?,36-34?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:27][CH:48]1[CH:50]([CH2:38][CH:51]2[CH:49]([CH2:30][CH2:19][CH2:8][CH2:6][CH2:10][CH2:21][CH2:31][C:52](=[O:60])[O:63][CH2:39][CH:44]([CH2:40][O:64][C:54]([CH:45]([CH2:26][CH2:17][CH2:12][CH2:13][CH2:20][CH2:29][CH:47]3[CH:46]([CH2:28][CH:18]=[CH:9][CH2:7][CH2:15][CH2:23][CH2:37][OH:55])[O:66]3)[OH:59])=[O:62])[O:65][C:53]([CH2:32][CH2:22][CH2:14][CH2:11][CH2:16][CH2:25][CH:42]([CH:34]=[CH:36][CH:43]([CH:35]=[CH:33][CH:41]([CH2:24][CH2:4][CH3:2])[OH:56])[OH:58])[OH:57])=[O:61])[O:68]2)[O:67]1 |
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