| Properties | Image |
|---|
| MNX_ID | MNXM1189502 |
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| reference | envipathM:...2dc93786dfe0 |
| formula | C49H82O |
| global charge | 0 |
| mol weight | 687.194 |
| InChIKey | LZRKFKKCDYTMEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C49H82O/c1-3-5-7-19-22-31-44(30-6-4-2)37-38-47-35-29-36-48(47)40-39-46(45-33-24-25-34-45)32-23-20-17-15-13-11-9-8-10-12-14-16-18-21-26-41-49(50)42-27-28-43-49/h24-25,27-29,33-36,42-47,50H,3-23,26,30-32,37-41H2,1-2H3 |
| SMILES | CCCCCCCC(CCCC)CCC1C=CC=C1CCC(CCCCCCCCCCCCCCCCCC1(O)C=CC=C1)C1C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C49H82O/c1-3-5-7-19-22-31-44(30-6-4-2)37-38-47-35-29-36-48(47)40-39-46(45-33-24-25-34-45)32-23-20-17-15-13-11-9-8-10-12-14-16-18-21-26-41-49(50)42-27-28-43-49/h24-25,27-29,33-36,42-47,50H,3-23,26,30-32,37-41H2,1-2H3/t44?,46?,47? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:19][CH2:22][CH2:31][CH:44]([CH2:30][CH2:6][CH2:4][CH3:2])[CH2:37][CH2:38][CH:47]1[CH:35]=[CH:29][CH:36]=[C:48]1[CH2:40][CH2:39][CH:46]([CH2:32][CH2:23][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:21][CH2:26][CH2:41][C:49]1([OH:50])[CH:42]=[CH:27][CH:28]=[CH:43]1)[CH:45]1[CH:33]=[CH:24][CH:25]=[CH:34]1 |
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