| Properties | Image |
|---|
| MNX_ID | MNXM1192024 |
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| reference | envipathM:...49ccb5ca7a14 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | FZZWUUMSVOQLLP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-21-31-44(57)53-48(67-53)35-24-13-11-15-26-37-52(60)63-40-43(64-54(61)45(58)32-22-17-20-30-42(56)29-19-16-18-28-41(55)27-6-3)39-62-51(59)36-25-14-10-12-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h18,21,28,31,41-50,53,55-58H,4-17,19-20,22-27,29-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)C(O)CCCCCC(O)CCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-21-31-44(57)53-48(67-53)35-24-13-11-15-26-37-52(60)63-40-43(64-54(61)45(58)32-22-17-20-30-42(56)29-19-16-18-28-41(55)27-6-3)39-62-51(59)36-25-14-10-12-23-34-47-50(66-47)38-49-46(65-49)33-8-5-2/h18,21,28,31,41-50,53,55-58H,4-17,19-20,22-27,29-30,32-40H2,1-3H3/b28-18?,31-21?/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:31][CH:44]([CH:53]1[CH:48]([CH2:35][CH2:24][CH2:13][CH2:11][CH2:15][CH2:26][CH2:37][C:52](=[O:60])[O:63][CH2:40][CH:43]([CH2:39][O:62][C:51]([CH2:36][CH2:25][CH2:14][CH2:10][CH2:12][CH2:23][CH2:34][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:64][C:54]([CH:45]([CH2:32][CH2:22][CH2:17][CH2:20][CH2:30][CH:42]([CH2:29][CH2:19][CH2:16][CH:18]=[CH:28][CH:41]([CH2:27][CH2:6][CH3:3])[OH:55])[OH:56])[OH:58])=[O:61])[O:67]1)[OH:57] |
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