| Properties | Image |
|---|
| MNX_ID | MNXM1192588 |
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| reference | envipathM:...198b400cd483 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | PPLOHUQSDUYYKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-20-29-43(56)30-21-14-10-11-15-23-33-46(58)54(62)65-44(41-64-53(61)38-26-19-13-17-24-35-48-49(66-48)36-27-31-42(55)28-6-3)40-63-52(60)37-25-18-12-16-22-32-45(57)47(59)39-51-50(67-51)34-8-5-2/h20-21,27,29-31,42-45,47-51,55-57,59H,4-19,22-26,28,32-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-20-29-43(56)30-21-14-10-11-15-23-33-46(58)54(62)65-44(41-64-53(61)38-26-19-13-17-24-35-48-49(66-48)36-27-31-42(55)28-6-3)40-63-52(60)37-25-18-12-16-22-32-45(57)47(59)39-51-50(67-51)34-8-5-2/h20-21,27,29-31,42-45,47-51,55-57,59H,4-19,22-26,28,32-41H2,1-3H3/b29-20?,30-21?,31-27?/t42?,43?,44?,45?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:20]=[CH:29][CH:43]([CH:30]=[CH:21][CH2:14][CH2:10][CH2:11][CH2:15][CH2:23][CH2:33][C:46]([C:54](=[O:62])[O:65][CH:44]([CH2:40][O:63][C:52]([CH2:37][CH2:25][CH2:18][CH2:12][CH2:16][CH2:22][CH2:32][CH:45]([CH:47]([CH2:39][CH:51]1[CH:50]([CH2:34][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:41][O:64][C:53]([CH2:38][CH2:26][CH2:19][CH2:13][CH2:17][CH2:24][CH2:35][CH:48]1[CH:49]([CH2:36][CH:27]=[CH:31][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[O:66]1)=[O:61])=[O:58])[OH:56] |
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