| Name |
Camelliin A |
| Formula |
C68H48O44 |
| Mw |
1568.15184491 |
| CAS RN |
132731-66-9 |
| C_ID |
C00055532
|
| InChIKey |
RIBQRCLILKXOGT-UHFFFAOYSA-N |
| InChICode |
InChI=1S/C68H48O43/c69-11-36(59(110-61(95)15-1-26(73)43(82)27(74)2-15)57-33(80)13-103-62(96)17-4-25(72)24(71)3-16(17)38-18(65(99)108-57)5-28(75)44(83)50(38)89)107-68(102)23-9-32(79)48(87)55(94)56(23)105-35-10-22-42(54(93)49(35)88)41-20(7-30(77)47(86)53(41)92)66(100)109-58(34(81)14-104-63(22)97)60-37(12-70)106-64(98)19-6-29(76)45(84)51(90)39(19)40-21(67(101)111-60)8-31(78)46(85)52(40)91/h1-12,33-34,36-37,57-60,71-94H,13-14H2 |
| SMILES |
OC1COC(C2=C(C=C(O)C(O)=C2)C3=C(C=C(O)C(O)=C3O)C(OC1C(C(OC(C4=CC(O)=C(O)C(O)=C4OC5=CC(C(OCC(O)C(C(OC6=O)C(C=O)OC(C(C=C(O)C(O)=C7O)=C7C8=C6C=C(O)C(O)=C8O)=O)OC(C9=C%10C(O)=C(O)C(O)=C9)=O)=O)=C%10C(O)=C5O)=O)C=O)OC(C%11=CC(O)=C(O)C(O)=C%11)=O)=O)=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Theaceae | Camellia japonica  | Ref. |
| Plantae | Theaceae | Camellia sasanqua | Ref. |
|
|
zoom in
| Organism | Camellia sasanqua |
|---|
| Reference | Yoshida, T. et al., Chem. Pharm. Bull., 1990, 38, 2681 (struct, cd, pmr, cmr) |
|---|
|
