| Properties | Image |
|---|
| MNX_ID | MNXM1184632 |
 |
| reference | envipathM:...efb68a608af2 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | KZULAJOAYTWDDO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-6-8-15-23-31-45-46(65-45)32-24-17-13-20-26-34-51(58)62-39-43(64-53(60)36-28-19-12-10-9-11-16-22-29-42(56)37-44(57)54(61)41(3)55)40-63-52(59)35-27-21-14-18-25-33-48-50(67-48)38-49-47(66-49)30-7-5-2/h15-16,22-23,41-43,45-50,54-56,61H,4-14,17-21,24-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC(O)CC(=O)C(O)C(C)O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-6-8-15-23-31-45-46(65-45)32-24-17-13-20-26-34-51(58)62-39-43(64-53(60)36-28-19-12-10-9-11-16-22-29-42(56)37-44(57)54(61)41(3)55)40-63-52(59)35-27-21-14-18-25-33-48-50(67-48)38-49-47(66-49)30-7-5-2/h15-16,22-23,41-43,45-50,54-56,61H,4-14,17-21,24-40H2,1-3H3/b22-16?,23-15?/t41?,42?,43?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH:15]=[CH:23][CH2:31][CH:45]1[CH:46]([CH2:32][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:34][C:51](=[O:58])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:52]([CH2:35][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:33][CH:48]2[CH:50]([CH2:38][CH:49]3[CH:47]([CH2:30][CH2:7][CH2:5][CH3:2])[O:66]3)[O:67]2)=[O:59])[O:64][C:53]([CH2:36][CH2:28][CH2:19][CH2:12][CH2:10][CH2:9][CH2:11][CH:16]=[CH:22][CH2:29][CH:42]([CH2:37][C:44]([CH:54]([CH:41]([CH3:3])[OH:55])[OH:61])=[O:57])[OH:56])=[O:60])[O:65]1 |
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