Summary

Molecular formula: C28H42O4
SMILES: OC1CC[C@]2([C@@]3(C1)O[C@H]3C(=O)C1=C2CCC2(C1(O)CCC2C(/C=C/C(C(C)C)C)C)C)C
InChI: InChI=1S/C28H42O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,24,29,31H,9-15H2,1-6H3/b8-7+/t17?,18?,19?,20?,24-,25?,26+,27?,28-/m0/s1
InChIKey: OEDKYCMBXKTOPW-VFRFMBCSSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2=C(CCC3CCCC23)C2CCCCC23OC13

Scaffold Graph/Node level:
OC1C2C3CCCC3CCC2C2CCCCC23OC13

Scaffold Graph level:
CC1C2C3CCCC3CCC2C2CCCCC23CC13

---

Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Steroids and steroid derivatives
Sub class: Ergostane steroids

---

Synonymous chemical names:
gargalol c

---

External chemical identifiers:
CID_54590539; NPATLAS_NPA015081; CHEMSPIDER_78443751

---

Chemical structure download