| Properties | Image |
|---|
| MNX_ID | MNXM1223488 |
 |
| reference | envipathM:...f9cb39c26795 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | UNZMFXRXLIWHME-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-38-53(61)65-44(41-63-51(59)36-24-19-16-17-23-33-47-48(66-47)35-29-31-43(56)30-4-2)42-64-52(60)37-25-21-20-22-32-45(57)54(62)46(58)40-50-49(67-50)34-27-28-39-55/h7-8,10-11,29,31,43-45,47-50,54-57,62H,3-6,9,12-28,30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCC(O)C(O)C(=O)CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-26-38-53(61)65-44(41-63-51(59)36-24-19-16-17-23-33-47-48(66-47)35-29-31-43(56)30-4-2)42-64-52(60)37-25-21-20-22-32-45(57)54(62)46(58)40-50-49(67-50)34-27-28-39-55/h7-8,10-11,29,31,43-45,47-50,54-57,62H,3-6,9,12-28,30,32-42H2,1-2H3/b8-7?,11-10?,31-29?/t43?,44?,45?,47?,48?,49?,50?,54? |
 |
| 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][CH2:26][CH2:38][C:53](=[O:61])[O:65][CH:44]([CH2:41][O:63][C:51]([CH2:36][CH2:24][CH2:19][CH2:16][CH2:17][CH2:23][CH2:33][CH:47]1[CH:48]([CH2:35][CH:29]=[CH:31][CH:43]([CH2:30][CH2:4][CH3:2])[OH:56])[O:66]1)=[O:59])[CH2:42][O:64][C:52]([CH2:37][CH2:25][CH2:21][CH2:20][CH2:22][CH2:32][CH:45]([CH:54]([C:46]([CH2:40][CH:50]1[CH:49]([CH2:34][CH2:27][CH2:28][CH2:39][OH:55])[O:67]1)=[O:58])[OH:62])[OH:57])=[O:60] |
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