| Properties | Image |
|---|
| MNX_ID | MNXM1178628 |
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| reference | envipathM:...2f8d3a7d120e |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FCDFOUKEVVHELZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-27-42(56)29-18-12-9-7-5-6-8-10-14-23-37-53(61)64-44(40-62-51(59)35-21-15-11-13-20-32-46-47(65-46)34-26-30-43(57)28-4-2)41-63-52(60)36-22-17-16-19-31-45(58)54-50(67-54)39-49-48(66-49)33-24-25-38-55/h7,9,18,26,29-30,43-50,54-55,57-58H,3-6,8,10-17,19-25,27-28,31-41H2,1-2H3 |
| SMILES | CCCC(=O)C=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-27-42(56)29-18-12-9-7-5-6-8-10-14-23-37-53(61)64-44(40-62-51(59)35-21-15-11-13-20-32-46-47(65-46)34-26-30-43(57)28-4-2)41-63-52(60)36-22-17-16-19-31-45(58)54-50(67-54)39-49-48(66-49)33-24-25-38-55/h7,9,18,26,29-30,43-50,54-55,57-58H,3-6,8,10-17,19-25,27-28,31-41H2,1-2H3/b9-7?,29-18?,30-26?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:27][C:42]([CH:29]=[CH:18][CH2:12][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:14][CH2:23][CH2:37][C:53](=[O:61])[O:64][CH:44]([CH2:40][O:62][C:51]([CH2:35][CH2:21][CH2:15][CH2:11][CH2:13][CH2:20][CH2:32][CH:46]1[CH:47]([CH2:34][CH:26]=[CH:30][CH:43]([CH2:28][CH2:4][CH3:2])[OH:57])[O:65]1)=[O:59])[CH2:41][O:63][C:52]([CH2:36][CH2:22][CH2:17][CH2:16][CH2:19][CH2:31][CH:45]([CH:54]1[CH:50]([CH2:39][CH:49]2[CH:48]([CH2:33][CH2:24][CH2:25][CH2:38][OH:55])[O:66]2)[O:67]1)[OH:58])=[O:60])=[O:56] |
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