| Properties | Image |
|---|
| MNX_ID | MNXM1172900 |
 |
| reference | envipathM:...ed5db51893a4 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | GWCVSDYCHIRWFM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-10-13-22-31-47-48(67-47)32-23-14-12-15-24-33-51(60)64-39-42(66-53(62)35-26-18-21-28-43(56)44(57)37-36-41(55)27-19-11-8-5-2)40-65-52(61)34-25-17-16-20-29-45(58)54(63)46(59)38-50-49(68-50)30-9-6-3/h13,19,22,27,36-37,41-50,54-59,63H,4-12,14-18,20-21,23-26,28-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1CCCC)OC(=O)CCCCCC(O)C(O)C=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-10-13-22-31-47-48(67-47)32-23-14-12-15-24-33-51(60)64-39-42(66-53(62)35-26-18-21-28-43(56)44(57)37-36-41(55)27-19-11-8-5-2)40-65-52(61)34-25-17-16-20-29-45(58)54(63)46(59)38-50-49(68-50)30-9-6-3/h13,19,22,27,36-37,41-50,54-59,63H,4-12,14-18,20-21,23-26,28-35,38-40H2,1-3H3/b22-13?,27-19?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:22][CH2:31][CH:47]1[CH:48]([CH2:32][CH2:23][CH2:14][CH2:12][CH2:15][CH2:24][CH2:33][C:51](=[O:60])[O:64][CH2:39][CH:42]([CH2:40][O:65][C:52]([CH2:34][CH2:25][CH2:17][CH2:16][CH2:20][CH2:29][CH:45]([CH:54]([CH:46]([CH2:38][CH:50]2[CH:49]([CH2:30][CH2:9][CH2:6][CH3:3])[O:68]2)[OH:59])[OH:63])[OH:58])=[O:61])[O:66][C:53]([CH2:35][CH2:26][CH2:18][CH2:21][CH2:28][CH:43]([CH:44]([CH:37]=[CH:36][CH:41]([CH:27]=[CH:19][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])[OH:56])=[O:62])[O:67]1 |
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