| Properties | Image |
|---|
| MNX_ID | MNXM1190850 |
 |
| reference | envipathM:...e695a6dac820 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | APTXHRAZSYLYCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-28-34-44(57)54(61)64-41(39-62-47(58)37-30-23-20-22-29-36-45-50(65-45)42(55)32-26-11-8-5-2)40-63-48(59)38-31-25-24-27-33-43(56)51-53(67-51)49(60)52-46(66-52)35-9-6-3/h12-13,15-16,26,32,41-46,50-53,55-57H,4-11,14,17-25,27-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C=CCCCC)COC(=O)CCCCCCC(O)C1OC1C(=O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-21-28-34-44(57)54(61)64-41(39-62-47(58)37-30-23-20-22-29-36-45-50(65-45)42(55)32-26-11-8-5-2)40-63-48(59)38-31-25-24-27-33-43(56)51-53(67-51)49(60)52-46(66-52)35-9-6-3/h12-13,15-16,26,32,41-46,50-53,55-57H,4-11,14,17-25,27-31,33-40H2,1-3H3/b13-12?,16-15?,32-26?/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][CH2:21][CH2:28][CH2:34][CH:44]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:30][CH2:23][CH2:20][CH2:22][CH2:29][CH2:36][CH:45]1[CH:50]([CH:42]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:65]1)=[O:58])[CH2:40][O:63][C:48]([CH2:38][CH2:31][CH2:25][CH2:24][CH2:27][CH2:33][CH:43]([CH:51]1[CH:53]([C:49]([CH:52]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:66]2)=[O:60])[O:67]1)[OH:56])=[O:59])[OH:57] |
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