| Properties | Image |
|---|
| MNX_ID | MNXM45305 |
 |
| reference | chebi:168287 |
| formula | C40H56O6S |
| global charge | 0 |
| mol weight | 664.949 |
| InChIKey | FXILFHWSQWCPCS-RJLXQHJHSA-N |
| InChI | InChI=1S/C40H56O6S/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(27-39(35,7)8)46-47(43,44)45)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(41)38(42)40(36,9)10/h11-24,34,37-38,41-42H,25-27H2,1-10H3,(H,43,44,45)/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/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[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H56O6S/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(27-39(35,7)8)46-47(43,44)45)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)26-37(41)38(42)40(36,9)10/h11-24,34,37-38,41-42H,25-27H2,1-10H3,(H,43,44,45)/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-,38+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:28](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:31]([CH3:4])\[CH:22]=[CH:24]\[C:36]1=[C:33]([CH3:6])[CH2:26][C@@H:37]([OH:41])[C@H:38]([OH:42])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:30]([CH3:3])/[CH:21]=[CH:23]/[C:35]1=[C:32]([CH3:5])[CH2:25][C@@H:34]([O:46][S:47]([OH:43])(=[O:44])=[O:45])[CH2:27][C:39]1([CH3:7])[CH3:8] |
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