| Properties | Image |
|---|
| MNX_ID | MNXM37544 |
 |
| reference | chebi:230675 |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | GOBUFJJNJJSVFH-ZDQLUEJSSA-N |
| InChI | InChI=1S/C40H54O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,37-,40-/m0/s1 |
| SMILES | CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-20,23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13+,19-14+,27-15+,28-16+,29-18+,30-20+,34-23-/t32-,35-,37-,40-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:19]=[CH:14]\[CH:20]=[C:30]([CH3:4])\[C:34](=[CH:23]\[C:36]([C@:40]1([CH3:10])[CH2:25][C@@H:32]([OH:41])[CH2:24][C:39]1([CH3:8])[CH3:9])=[O:44])[OH:42])/[CH:17]=[CH:13]/[CH:18]=[C:29](\[CH3:3])[C:21]#[C:22][C:33]1=[C:31]([CH3:5])[C@H:37]([OH:45])[C@@H:35]([OH:43])[CH2:26][C:38]1([CH3:6])[CH3:7] |
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