| Properties | Image |
|---|
| MNX_ID | MNXM1131867 |
 |
| reference | chebi:199060 |
| formula | C43H74O2 |
| global charge | 0 |
| mol weight | 623.063 |
| InChIKey | KAAPPNYFWFPISZ-IGKGKXGSSA-N |
| InChI | InChI=1S/C43H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)34(5)22-21-33(4)32(2)3/h21-22,24,32-36,38-40H,8-20,23,25-31H2,1-7H3/b22-21+/t33-,34+,35-,36-,38+,39-,40-,42-,43+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C43H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)34(5)22-21-33(4)32(2)3/h21-22,24,32-36,38-40H,8-20,23,25-31H2,1-7H3/b22-21+/t33-,34+,35-,36-,38+,39-,40-,42-,43+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:41](=[O:44])[O:45][C@H:36]1[CH2:27][CH2:29][C@@:42]2([CH3:6])[C@@H:35]([CH2:23][CH:24]=[C:37]3[C@@H:39]4[CH2:26][CH2:25][C@H:38]([C@H:34]([CH3:5])/[CH:22]=[CH:21]/[C@H:33]([CH3:4])[CH:32]([CH3:2])[CH3:3])[C@@:43]4([CH3:7])[CH2:30][CH2:28][C@@H:40]32)[CH2:31]1 |
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