| Properties | Image |
|---|
| MNX_ID | MNXM1191252 |
 |
| reference | envipathM:...f6adc2c64abc |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | AFFIRZXFBPMGGO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(60)65-43(41-64-54(62)46(58)34-26-22-23-27-36-48-49(66-48)37-29-31-42(55)30-6-3)40-63-53(61)45(57)33-25-21-20-24-32-44(56)47(59)39-51-50(67-51)35-8-5-2/h10-11,13-14,29,31,42-51,55-59H,4-9,12,15-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-28-38-52(60)65-43(41-64-54(62)46(58)34-26-22-23-27-36-48-49(66-48)37-29-31-42(55)30-6-3)40-63-53(61)45(57)33-25-21-20-24-32-44(56)47(59)39-51-50(67-51)35-8-5-2/h10-11,13-14,29,31,42-51,55-59H,4-9,12,15-28,30,32-41H2,1-3H3/b11-10?,14-13?,31-29?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| 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][CH2:19][CH2:28][CH2:38][C:52](=[O:60])[O:65][CH:43]([CH2:40][O:63][C:53]([CH:45]([CH2:33][CH2:25][CH2:21][CH2:20][CH2:24][CH2:32][CH:44]([CH:47]([CH2:39][CH:51]1[CH:50]([CH2:35][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:59])[OH:56])[OH:57])=[O:61])[CH2:41][O:64][C:54]([CH:46]([CH2:34][CH2:26][CH2:22][CH2:23][CH2:27][CH2:36][CH:48]1[CH:49]([CH2:37][CH:29]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[O:66]1)[OH:58])=[O:62] |
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