| Properties | Image |
|---|
| MNX_ID | MNXM1177215 |
 |
| reference | envipathM:...21e99b0ca2b5 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FGDZKLWPYNUFRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-24-33-46(58)54(62)65-44(41-63-52(60)37-26-21-16-19-23-32-45(57)47(59)40-51-50(67-51)34-6-4-2)42-64-53(61)38-27-22-17-20-25-35-48-49(66-48)36-28-30-43(56)31-29-39-55/h8-9,11-12,28,30,43-45,47-51,55-57,59H,3-7,10,13-27,29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(=O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-18-24-33-46(58)54(62)65-44(41-63-52(60)37-26-21-16-19-23-32-45(57)47(59)40-51-50(67-51)34-6-4-2)42-64-53(61)38-27-22-17-20-25-35-48-49(66-48)36-28-30-43(56)31-29-39-55/h8-9,11-12,28,30,43-45,47-51,55-57,59H,3-7,10,13-27,29,31-42H2,1-2H3/b9-8?,12-11?,30-28?/t43?,44?,45?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:24][CH2:33][C:46]([C:54](=[O:62])[O:65][CH:44]([CH2:41][O:63][C:52]([CH2:37][CH2:26][CH2:21][CH2:16][CH2:19][CH2:23][CH2:32][CH:45]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]1)[OH:59])[OH:57])=[O:60])[CH2:42][O:64][C:53]([CH2:38][CH2:27][CH2:22][CH2:17][CH2:20][CH2:25][CH2:35][CH:48]1[CH:49]([CH2:36][CH:28]=[CH:30][CH:43]([CH2:31][CH2:29][CH2:39][OH:55])[OH:56])[O:66]1)=[O:61])=[O:58] |
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