| Properties | Image |
|---|
| MNX_ID | MNXM1260755 |
 |
| reference | envipathM:...5a75d0321189 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | AYEUIRHVYDJMOK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(58)64-41(39-62-47(57)37-28-25-21-23-27-36-45-44(65-45)35-26-22-11-8-5-2)40-63-54(61)49(59)42(55)32-30-31-33-43(56)51-53(67-51)50(60)52-46(66-52)34-9-6-3/h12-13,15-16,22,26,41-46,50-53,55-56,60H,4-11,14,17-21,23-25,27-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(=O)C(O)CCCCC(O)C1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-29-38-48(58)64-41(39-62-47(57)37-28-25-21-23-27-36-45-44(65-45)35-26-22-11-8-5-2)40-63-54(61)49(59)42(55)32-30-31-33-43(56)51-53(67-51)50(60)52-46(66-52)34-9-6-3/h12-13,15-16,22,26,41-46,50-53,55-56,60H,4-11,14,17-21,23-25,27-40H2,1-3H3/b13-12?,16-15?,26-22?/t41?,42?,43?,44?,45?,46?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:29][CH2:38][C:48](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:28][CH2:25][CH2:21][CH2:23][CH2:27][CH2:36][CH:45]1[CH:44]([CH2:35][CH:26]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:40][O:63][C:54]([C:49]([CH:42]([CH2:32][CH2:30][CH2:31][CH2:33][CH:43]([CH:51]1[CH:53]([CH:50]([CH:52]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:60])[O:67]1)[OH:56])[OH:55])=[O:59])=[O:61] |
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