| Properties | Image |
|---|
| MNX_ID | MNXM1138793 |
 |
| reference | envipathM:...172e8ba175dc |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | HEAADBMVRDOLBX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-30-45(58)47(60)39-50-48(67-50)31-21-15-12-18-23-33-51(61)64-40-44(66-53(63)35-25-17-11-9-7-6-8-10-14-20-28-43(57)29-26-38-55)41-65-52(62)34-24-19-13-16-22-32-49-54(68-49)46(59)37-36-42(56)27-4-2/h8,10,20,28,36-37,42-50,54-60H,3-7,9,11-19,21-27,29-35,38-41H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC)OC(=O)CCCCCCCC=CCC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-30-45(58)47(60)39-50-48(67-50)31-21-15-12-18-23-33-51(61)64-40-44(66-53(63)35-25-17-11-9-7-6-8-10-14-20-28-43(57)29-26-38-55)41-65-52(62)34-24-19-13-16-22-32-49-54(68-49)46(59)37-36-42(56)27-4-2/h8,10,20,28,36-37,42-50,54-60H,3-7,9,11-19,21-27,29-35,38-41H2,1-2H3/b10-8?,28-20?,37-36?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:30][CH:45]([CH:47]([CH2:39][CH:50]1[CH:48]([CH2:31][CH2:21][CH2:15][CH2:12][CH2:18][CH2:23][CH2:33][C:51](=[O:61])[O:64][CH2:40][CH:44]([CH2:41][O:65][C:52]([CH2:34][CH2:24][CH2:19][CH2:13][CH2:16][CH2:22][CH2:32][CH:49]2[CH:54]([CH:46]([CH:37]=[CH:36][CH:42]([CH2:27][CH2:4][CH3:2])[OH:56])[OH:59])[O:68]2)=[O:62])[O:66][C:53]([CH2:35][CH2:25][CH2:17][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:14][CH:20]=[CH:28][CH:43]([CH2:29][CH2:26][CH2:38][OH:55])[OH:57])=[O:63])[O:67]1)[OH:60])[OH:58] |
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