Summary

SMILES: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=CC=C/1C[C@@H](O)CCC1=C)C)C
InChI: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
DeepSMILES: CCCCC[C@H][C@H]CC[C@@H][C@]5C)CCC/C/6=CC=CC[C@@H]O)CCC6=C))))))))))))))))))C)))))C
Scaffold Graph/Node/Bond level: C=C1CCCCC1=CC=C1CCCC2CCCC12
Scaffold Graph/Node level: CC1CCCCC1CCC1CCCC2CCCC21
Scaffold Graph level: CC1CCCCC1CCC1CCCC2CCCC21
Functional groups: C=C(C)/C(C)=CC=C(/C)C; CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Lipids and lipid-like molecules
ClassyFire Class: Steroids and steroid derivatives
ClassyFire Subclass: Vitamin D and derivatives
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Steroids
NP Classifier Class: Vitamin D3 and derivatives

---

Synonymous chemical names:
cholecalciferol, vitamin d, vitamin d3

---

External chemical identifiers:
CID:5280795; ChEMBL:CHEMBL1042; ChEBI:28940; ZINC:ZINC000004474460; SureChEMBL:SCHEMBL3126; MolPort-001-740-051

---

Chemical structure download