| Properties | Image |
|---|
| MNX_ID | MNXM1192736 |
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| reference | envipathM:...b4147f6e3dd5 |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | OMTQUQKMCYRAOE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-51(59)63-44(42-61-49(57)39-32-27-21-24-30-36-46(56)45(55)35-29-23-11-8-5-2)43-62-50(58)40-33-28-22-25-31-38-48-54(65-48)52(60)53-47(64-53)37-9-6-3/h12-13,44,46-48,52-54,56,60H,4-11,14-43H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CCCCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-26-34-41-51(59)63-44(42-61-49(57)39-32-27-21-24-30-36-46(56)45(55)35-29-23-11-8-5-2)43-62-50(58)40-33-28-22-25-31-38-48-54(65-48)52(60)53-47(64-53)37-9-6-3/h12-13,44,46-48,52-54,56,60H,4-11,14-43H2,1-3H3/b13-12?/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][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:26][CH2:34][CH2:41][C:51](=[O:59])[O:63][CH:44]([CH2:42][O:61][C:49]([CH2:39][CH2:32][CH2:27][CH2:21][CH2:24][CH2:30][CH2:36][CH:46]([C:45]([CH2:35][CH2:29][CH2:23][CH2:11][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])=[O:57])[CH2:43][O:62][C:50]([CH2:40][CH2:33][CH2:28][CH2:22][CH2:25][CH2:31][CH2:38][CH:48]1[CH:54]([CH:52]([CH:53]2[CH:47]([CH2:37][CH2:9][CH2:6][CH3:3])[O:64]2)[OH:60])[O:65]1)=[O:58] |
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