| Properties | Image |
|---|
| MNX_ID | MNXM1139216 |
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| reference | envipathM:...ef0c51d86fa4 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | MEZMGDHJCDEVPN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-51(59)64-44(41-62-49(57)38-28-24-19-21-26-35-46-47(65-46)37-31-33-43(55)32-6-3)42-63-50(58)39-29-25-20-22-27-36-48-54(66-48)53(61)52(60)45(56)34-8-5-2/h10-11,13-14,43-48,53-56,61H,4-9,12,15-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)COC(=O)CCCCCCCC1OC1C(O)C(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-10-11-12-13-14-15-16-17-18-23-30-40-51(59)64-44(41-62-49(57)38-28-24-19-21-26-35-46-47(65-46)37-31-33-43(55)32-6-3)42-63-50(58)39-29-25-20-22-27-36-48-54(66-48)53(61)52(60)45(56)34-8-5-2/h10-11,13-14,43-48,53-56,61H,4-9,12,15-42H2,1-3H3/b11-10?,14-13?/t43?,44?,45?,46?,47?,48?,53?,54? |
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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][CH2:23][CH2:30][CH2:40][C:51](=[O:59])[O:64][CH:44]([CH2:41][O:62][C:49]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:37][CH2:31][CH2:33][CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[O:65]1)=[O:57])[CH2:42][O:63][C:50]([CH2:39][CH2:29][CH2:25][CH2:20][CH2:22][CH2:27][CH2:36][CH:48]1[CH:54]([CH:53]([C:52]([CH:45]([CH2:34][CH2:8][CH2:5][CH3:2])[OH:56])=[O:60])[OH:61])[O:66]1)=[O:58] |
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