| Properties | Image |
|---|
| MNX_ID | MNXM1188933 |
 |
| reference | envipathM:...15bed99fa97f |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | CFJAXLCWBVIPOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-3-5-7-22-32-45(58)53-49(68-53)35-25-15-12-17-27-37-52(62)65-41-43(66-54(63)46(59)33-24-19-21-30-42(56)29-20-13-9-8-10-18-28-38-55)40-64-51(61)36-26-16-11-14-23-31-44(57)47(60)39-50-48(67-50)34-6-4-2/h8-9,20,22,29,32,42-50,53,55-60H,3-7,10-19,21,23-28,30-31,33-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)C(O)CCCCCC(O)C=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-3-5-7-22-32-45(58)53-49(68-53)35-25-15-12-17-27-37-52(62)65-41-43(66-54(63)46(59)33-24-19-21-30-42(56)29-20-13-9-8-10-18-28-38-55)40-64-51(61)36-26-16-11-14-23-31-44(57)47(60)39-50-48(67-50)34-6-4-2/h8-9,20,22,29,32,42-50,53,55-60H,3-7,10-19,21,23-28,30-31,33-41H2,1-2H3/b9-8?,29-20?,32-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:22]=[CH:32][CH:45]([CH:53]1[CH:49]([CH2:35][CH2:25][CH2:15][CH2:12][CH2:17][CH2:27][CH2:37][C:52](=[O:62])[O:65][CH2:41][CH:43]([CH2:40][O:64][C:51]([CH2:36][CH2:26][CH2:16][CH2:11][CH2:14][CH2:23][CH2:31][CH:44]([CH:47]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:60])[OH:57])=[O:61])[O:66][C:54]([CH:46]([CH2:33][CH2:24][CH2:19][CH2:21][CH2:30][CH:42]([CH:29]=[CH:20][CH2:13][CH:9]=[CH:8][CH2:10][CH2:18][CH2:28][CH2:38][OH:55])[OH:56])[OH:59])=[O:63])[O:68]1)[OH:58] |
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