| Properties | Image |
|---|
| MNX_ID | MNXM1368725 |
 |
| reference | biggM:2oph |
| formula | C46H70O |
| global charge | 0 |
| mol weight | 639.065 |
| InChIKey | VUNQJPPPTJIREN-UHFFFAOYSA-N |
| InChI | InChI=1S/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3 |
| SMILES | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b38-21?,39-23?,40-25?,41-27?,42-29?,43-31?,44-35? |
 |
| SMILES (mnx) | [CH3:1][C:37]([CH3:2])=[CH:19][CH2:12][CH2:20][C:38]([CH3:3])=[CH:21][CH2:13][CH2:22][C:39]([CH3:4])=[CH:23][CH2:14][CH2:24][C:40]([CH3:5])=[CH:25][CH2:15][CH2:26][C:41]([CH3:6])=[CH:27][CH2:16][CH2:28][C:42]([CH3:7])=[CH:29][CH2:17][CH2:30][C:43]([CH3:8])=[CH:31][CH2:18][CH2:32][C:44]([CH3:9])=[CH:35][CH2:36][C:45]1=[CH:33][CH:10]=[CH:11][CH:34]=[C:46]1[OH:47] |
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