| Properties | Image |
|---|
| MNX_ID | MNXM1174463 |
 |
| reference | envipathM:...b88cda76e0d0 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | YYPDOGUIOPKFDT-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-17-24-32-43(55)33-25-22-23-31-40-51(59)64-44(41-62-49(57)38-29-20-14-18-27-36-47-46(65-47)35-26-16-11-8-5-2)42-63-50(58)39-30-21-15-19-28-37-48-54(66-48)53(61)52(60)45(56)34-9-6-3/h12-13,16,24,26,32,44,46-48,52-54,60-61H,4-11,14-15,17-23,25,27-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1C(O)C(O)C(=O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-17-24-32-43(55)33-25-22-23-31-40-51(59)64-44(41-62-49(57)38-29-20-14-18-27-36-47-46(65-47)35-26-16-11-8-5-2)42-63-50(58)39-30-21-15-19-28-37-48-54(66-48)53(61)52(60)45(56)34-9-6-3/h12-13,16,24,26,32,44,46-48,52-54,60-61H,4-11,14-15,17-23,25,27-31,33-42H2,1-3H3/b13-12?,26-16?,32-24?/t44?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH:24]=[CH:32][C:43]([CH2:33][CH2:25][CH2:22][CH2:23][CH2:31][CH2:40][C:51](=[O:59])[O:64][CH:44]([CH2:41][O:62][C:49]([CH2:38][CH2:29][CH2:20][CH2:14][CH2:18][CH2:27][CH2:36][CH:47]1[CH:46]([CH2:35][CH:26]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:42][O:63][C:50]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:19][CH2:28][CH2:37][CH:48]1[CH:54]([CH:53]([CH:52]([C:45]([CH2:34][CH2:9][CH2:6][CH3:3])=[O:56])[OH:60])[OH:61])[O:66]1)=[O:58])=[O:55] |
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