| Properties | Image |
|---|
| MNX_ID | MNXM1175175 |
 |
| reference | envipathM:...78e22b646df6 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QQQFCMDWKXSSML-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-25-37-52(60)64-43(40-62-51(59)36-24-19-16-17-23-33-46-49(65-46)39-50-47(66-50)34-26-27-38-55)41-63-54(61)45(58)32-22-20-21-31-44(57)53-48(67-53)35-28-30-42(56)29-4-2/h7-8,10-11,42-50,53,55-58H,3-6,9,12-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCO)COC(=O)C(O)CCCCCC(O)C1OC1CCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-25-37-52(60)64-43(40-62-51(59)36-24-19-16-17-23-33-46-49(65-46)39-50-47(66-50)34-26-27-38-55)41-63-54(61)45(58)32-22-20-21-31-44(57)53-48(67-53)35-28-30-42(56)29-4-2/h7-8,10-11,42-50,53,55-58H,3-6,9,12-41H2,1-2H3/b8-7?,11-10?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:25][CH2:37][C:52](=[O:60])[O:64][CH:43]([CH2:40][O:62][C:51]([CH2:36][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:33][CH:46]1[CH:49]([CH2:39][CH:50]2[CH:47]([CH2:34][CH2:26][CH2:27][CH2:38][OH:55])[O:66]2)[O:65]1)=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:32][CH2:22][CH2:20][CH2:21][CH2:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH2:28][CH2:30][CH:42]([CH2:29][CH2:4][CH3:2])[OH:56])[O:67]1)[OH:57])[OH:58])=[O:61] |
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