| Name |
Nobotanin L |
| Formula |
C109H76O70 |
| Mw |
2504.23872599 |
| CAS RN |
238750-61-3 |
| C_ID |
C00035351
, 
|
| InChIKey |
ZGYXWTDQIOSBDH-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C109H76O70/c110-17-53-91(174-102(157)27-9-43(120)69(133)79(143)58(27)56-25(100(155)169-53)7-41(118)67(131)77(56)141)89(49(126)19-164-96(151)22-1-35(112)64(128)36(113)2-22)172-107(162)33-13-47(124)73(137)85(149)87(33)167-51-15-31-62(83(147)75(51)139)60-29(11-45(122)71(135)81(60)145)104(159)176-93-55(21-166-99(31)154)171-109(179-98(153)24-5-39(116)66(130)40(117)6-24)95-94(93)177-105(160)30-12-46(123)72(136)82(146)61(30)63-32(106(161)178-95)16-52(76(140)84(63)148)168-88-34(14-48(125)74(138)86(88)150)108(163)173-90(50(127)20-165-97(152)23-3-37(114)65(129)38(115)4-23)92-54(18-111)170-101(156)26-8-42(119)68(132)78(142)57(26)59-28(103(158)175-92)10-44(121)70(134)80(59)144/h1-18,49-50,53-55,89-95,109,112-150H,19-21H2/t49-,50+,53-,54-,55-,89-,90-,91+,92+,93+,94+,95+,109-/m0/s1 |
| SMILES |
O=CC1OC(=O)c2cc(O)c(O)c(O)c2-c2c(cc(O)c(O)c2O)C(=O)OC1C(OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(cc(O)c(O)c1O)C(=O)OC1C(COC2=O)OC(OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(Oc4c(C(=O)OC(C(O)COC(=O)c5cc(O)c(O)c(O)c5)C5OC(=O)c6cc(O)c(O)c(O)c6-c6c(cc(O)c(O)c6O)C(=O)OC5C=O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC12)C(O)COC(=O)c1cc(O)c(O)c(O)c1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Melastomataceae | Tibouchina semidecandra | Ref. |
|
|
zoom in
| Organism | Tibouchina semidecandra |
|---|
| Reference | Yoshida,Phytochem.,66,(2005),1972 |
|---|
|
