| Properties | Image |
|---|
| MNX_ID | MNXM37596 |
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| reference | metacycM:CPD-17663 |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | XJWXMPXLYUAWJI-YMLYSDQZSA-N |
| InChI | InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34?,36?,37-,38-/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=C/C2=C(C)C(=O)C(O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)C(O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34?,36?,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:26](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:27]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:29]([CH3:4])\[CH:22]=[CH:24]\[C:33]1=[C:31]([CH3:6])[C:35](=[O:42])[CH:36]([OH:43])[C@H:38]([OH:45])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:28]([CH3:3])/[CH:21]=[CH:23]/[C:32]1=[C:30]([CH3:5])[CH2:25][CH:34]([OH:41])[C@H:37]([OH:44])[C:39]1([CH3:7])[CH3:8] |
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