| Properties | Image |
|---|
| MNX_ID | MNXM1176511 |
 |
| reference | envipathM:...1a9f5a6aff30 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | NWYLLCXXNLEHNT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-21-29-44(57)53-48(67-53)33-24-15-13-17-25-34-51(59)62-39-43(64-52(60)35-26-16-12-10-11-14-20-28-42(56)37-36-41(55)27-6-3)40-63-54(61)45(58)30-22-18-19-23-32-47-50(66-47)38-49-46(65-49)31-8-5-2/h21,29,36-37,41-50,53,55-58H,4-20,22-28,30-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-21-29-44(57)53-48(67-53)33-24-15-13-17-25-34-51(59)62-39-43(64-52(60)35-26-16-12-10-11-14-20-28-42(56)37-36-41(55)27-6-3)40-63-54(61)45(58)30-22-18-19-23-32-47-50(66-47)38-49-46(65-49)31-8-5-2/h21,29,36-37,41-50,53,55-58H,4-20,22-28,30-35,38-40H2,1-3H3/b29-21?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:21]=[CH:29][CH:44]([CH:53]1[CH:48]([CH2:33][CH2:24][CH2:15][CH2:13][CH2:17][CH2:25][CH2:34][C:51](=[O:59])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:54]([CH:45]([CH2:30][CH2:22][CH2:18][CH2:19][CH2:23][CH2:32][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)[OH:58])=[O:61])[O:64][C:52]([CH2:35][CH2:26][CH2:16][CH2:12][CH2:10][CH2:11][CH2:14][CH2:20][CH2:28][CH:42]([CH:37]=[CH:36][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[O:67]1)[OH:57] |
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