Summary

SMILES: CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](O[C@@H]4[C@H]([C@H](O[C@H]5[C@H](O1)O[C@H](CO)[C@H]([C@@H]5O)O)O[C@H](CO)[C@H]4O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1OC(=O)[C@H](CC)C)O)OC(=O)[C@H](CC)C)[C@H](O)[C@H]([C@@H]3OC(=O)[C@H](CC)C)OC(=O)[C@H](CC)C)O[C@@H]([C@H]([C@@H]2O)O)CO
InChI: InChI=1S/C66H112O30/c1-11-16-22-25-37-26-23-20-18-17-19-21-24-27-42(70)89-54-46(74)43(71)38(28-67)85-63(54)82-31-41-51(91-59(79)33(7)13-3)53(92-60(80)34(8)14-4)49(77)62(88-41)94-52-45(73)40(30-69)87-66(95-55-47(75)44(72)39(29-68)86-65(55)84-37)57(52)96-64-56(93-61(81)35(9)15-5)48(76)50(36(10)83-64)90-58(78)32(6)12-2/h32-41,43-57,62-69,71-77H,11-31H2,1-10H3/t32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,43+,44+,45+,46-,47-,48+,49+,50-,51+,52-,53+,54+,55+,56+,57+,62-,63+,64-,65+,66-/m0/s1
InChIKey: MQNTUHJXSGSICT-CARFNCIOSA-N
DeepSMILES: CCCCC[C@H]CCCCCCCCCC=O)O[C@H][C@H]OC[C@H]O[C@@H]O[C@@H][C@H][C@H]O[C@H][C@H]O%27)O[C@H]CO))[C@H][C@@H]6O))O)))))))O[C@H]CO))[C@H]6O)))))O[C@@H]O[C@@H]C)[C@@H][C@H][C@H]6OC=O)[C@H]CC))C)))))O))OC=O)[C@H]CC))C))))))))))))[C@H]O)[C@H][C@@H]6OC=O)[C@H]CC))C)))))OC=O)[C@H]CC))C)))))))))))O[C@@H][C@H][C@@H]6O))O))CO
Scaffold Graph/Node/Bond level: O=C1CCCCCCCCCCOC2OCCCC2OC2OCCC(OC3CCCC(COC4OCCCC4O1)O3)C2OC1CCCCO1
Scaffold Graph/Node level: OC1CCCCCCCCCCOC2OCCCC2OC2OCCC(OC3CCCC(COC4OCCCC4O1)O3)C2OC1CCCCO1
Scaffold Graph level: CC1CCCCCCCCCCCC2CCCCC2CC2CCCC(CC3CCCC(CCC4CCCCC4C1)C3)C2CC1CCCCC1
Functional groups: CC(=O)OC; CO; CO[C@@H](C)OC; CO[C@H](C)OC

---

Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Saccharolipids
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty acyls
NP Classifier Class: Resin glycosides

---

Synonymous chemical names:
woodrosin i

---

External chemical identifiers:
CID:10329109

---

Chemical structure download