Summary

Molecular formula: C32H50O5
SMILES: COC(=O)C([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC=C1C2=CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C)CCC(=C)C(O)(C)C
InChI: InChI=1S/C32H50O5/c1-19(29(4,5)36)10-11-20(27(35)37-9)26-23(33)18-32(8)22-12-13-24-28(2,3)25(34)15-16-30(24,6)21(22)14-17-31(26,32)7/h12,14,20,23-26,33-34,36H,1,10-11,13,15-18H2,2-9H3/t20?,23-,24+,25-,26+,30-,31-,32+/m1/s1
InChIKey: QYINWYSAHKZFTN-HSTXRIAUSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(=CCC3CCCCC23)C2CCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

---

Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Bile acids, alcohols and derivatives

---

Synonymous chemical names:
methyl 25-hydroxy-3-epidehydrotumulosate

---

External chemical identifiers:
CID_139583733; NPATLAS_NPA002288; CHEMSPIDER_78442479

---

Chemical structure download