| Properties | Image |
|---|
| MNX_ID | MNXM1180021 |
 |
| reference | envipathM:...90dc2c98d989 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | AVVHFRGZDKNFQJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-50(60)65-43(40-63-48(58)37-27-22-19-20-26-35-46-47(66-46)36-30-32-42(55)31-6-3)41-64-49(59)38-28-24-23-25-34-45(57)53-54(67-53)52(62)51(61)44(56)33-8-5-2/h10-11,13-14,30,32,42-44,46-47,51-56,61-62H,4-9,12,15-29,31,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCC(=O)C1OC1C(O)C(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-29-39-50(60)65-43(40-63-48(58)37-27-22-19-20-26-35-46-47(66-46)36-30-32-42(55)31-6-3)41-64-49(59)38-28-24-23-25-34-45(57)53-54(67-53)52(62)51(61)44(56)33-8-5-2/h10-11,13-14,30,32,42-44,46-47,51-56,61-62H,4-9,12,15-29,31,33-41H2,1-3H3/b11-10?,14-13?,32-30?/t42?,43?,44?,46?,47?,51?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:10]=[CH:11][CH2:12][CH:13]=[CH:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:29][CH2:39][C:50](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:48]([CH2:37][CH2:27][CH2:22][CH2:19][CH2:20][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH:30]=[CH:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])[O:66]1)=[O:58])[CH2:41][O:64][C:49]([CH2:38][CH2:28][CH2:24][CH2:23][CH2:25][CH2:34][C:45]([CH:53]1[CH:54]([CH:52]([CH:51]([CH:44]([CH2:33][CH2:8][CH2:5][CH3:2])[OH:56])[OH:61])[OH:62])[O:67]1)=[O:57])=[O:59] |
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