Fesogenin

HCID 417706

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Basic information

CAS: 561-98-8
Standard SMILES: CC(CO)CC1=C2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C(C)C1=O
InChIKey: CGZZUMJKIYSDPE-UHFFFAOYSA-N
Molecular formula: C27H40O3
Average molar mass: 412.6 g/mol
Monoisotopic mass: 412.29774513

Names & identifiers

Preferred name: Fesogenin
IUPAC: 16-hydroxy-5-(3-hydroxy-2-methylpropyl)-7,9,13-trimethylpentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,18-dien-6-one
English name: 3β,26-Dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one
Molecular formula: C27H40O3
Molecular weight: 412.61

Names & synonyms

FesogeninDTXSID50329137561-98-816,23-Cyclocholesta-5,16(23)-dien-22-one, 3,26-dihydroxy-, (3.beta.)-RefChem:140348DTXCID5028023916,23-Cyclocholesta-5,16(23)-dien-22-one, 3,26-dihydroxy-, (3beta)-CGZZUMJKIYSDPE-UHFFFAOYSA-NNSC94760SCHEMBL30585123NSC-9476016,16(23)-dien-22-one, 3,26-dihydroxy-, (3.beta.)-

Show more names

3β,26-Dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one16,23-Cyclocholesta-5,16(23)-dien-22-one, 3,26-dihydroxy-, (3β,25R)-

3,26-Dihydroxy-16,23-cyclocholesta-5,16(23)-dien-22-one2-Hydroxy-9-(3-hydroxy-2-methylpropyl)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,7,10,10a,10b,11-tetradecahydropentaleno[2,1-a]phenanthren-8(1H)-one2-Hydroxy-9-(3-hydroxy-2-methylpropyl)-4a,6a,7-trimethyl-2,3,4,4a,4b,5,6,6a,6b,7,10,10a,10b,11-tetradecahydropentaleno[2,1-a]phenanthren-8(1H)-one #

Database identifiers

CAS: 561-98-8
PubChem CID: 417706
DTXSID: DTXSID50329137

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 57.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 30
Formal charge: 0
Complexity: 809

Physicochemical properties

Melting point: 180 °C · 180 °C
Boiling point: 573.8 · 573.8±50.0 °C(Predicted)
Density: 1.14 · 1.14±0.1 g/cm3(Predicted)
pka: 14.84 · 14.84±0.10(Predicted)

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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