Summary

Molecular formula: C32H46O7
SMILES: CC(=O)OC(/C=C/C(=O)[C@@]([C@H]1CC[C@@]2([C@]1(C)CC(=O)[C@@]1([C@H]2CC=C2[C@H]1C[C@H](O)C(=O)C2(C)C)C)C)(O)C)(C)C
InChI: InChI=1S/C32H46O7/c1-18(33)39-27(2,3)14-13-24(35)32(9,38)23-12-15-29(6)22-11-10-19-20(16-21(34)26(37)28(19,4)5)31(22,8)25(36)17-30(23,29)7/h10,13-14,20-23,34,38H,11-12,15-17H2,1-9H3/b14-13+/t20-,21+,22+,23+,29+,30-,31+,32-/m1/s1
InChIKey: BXYMOPHDFDLMEA-LTFRKHHZSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2C(=CCC3C4CCCC4CC(=O)C23)C1

Scaffold Graph/Node level:
OC1CCC2C(CCC3C4CCCC4CC(O)C23)C1

Scaffold Graph level:
CC1CCC2C(CCC3C4CCCC4CC(C)C23)C1

---

Chemical classification

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

---

Synonymous chemical names:
16-deoxycucurbitacin b

---

External chemical identifiers:
CID_16099539; NPATLAS_NPA009078; CHEMSPIDER_17257448; ZINC_ZINC000060044904

---

Chemical structure download