| Properties | Image |
|---|
| MNX_ID | MNXM1368663 |
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| reference | biggM:2omph |
| formula | C47H72O2 |
| global charge | 0 |
| mol weight | 669.091 |
| InChIKey | MARGKPIMNMASKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3 |
| SMILES | COC1=CC=CC(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O |
MNX internals
| InChI (mnx) | InChI=1/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35,48H,11-17,20,22,24,26,28,30,32,36H2,1-10H3/b38-21?,39-23?,40-25?,41-27?,42-29?,43-31?,44-35? |
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| SMILES (mnx) | [CH3:1][C:37]([CH3:2])=[CH:19][CH2:11][CH2:20][C:38]([CH3:3])=[CH:21][CH2:12][CH2:22][C:39]([CH3:4])=[CH:23][CH2:13][CH2:24][C:40]([CH3:5])=[CH:25][CH2:14][CH2:26][C:41]([CH3:6])=[CH:27][CH2:15][CH2:28][C:42]([CH3:7])=[CH:29][CH2:16][CH2:30][C:43]([CH3:8])=[CH:31][CH2:17][CH2:32][C:44]([CH3:9])=[CH:35][CH2:36][C:45]1=[C:47]([OH:48])[C:46]([O:49][CH3:10])=[CH:34][CH:18]=[CH:33]1 |
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