chempirical

Cyclogalegenin

C30H50O5CAS 84605-18-5490.73 g/mol

Open in Covalent MOL file
HOHOOHOHO
AlcoholEther

Properties

Molecular formula
C30H50O5
Molar mass
490.73 g/mol
Exact mass
490.3658 Da
logP
4.44Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
2
Stereocentres
R, S, R, S, S, S, S, R, S, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
84605-18-5
SMILES
CC(C)(O)[C@H]1CC[C@@](C)([C@H]2[C@@H](O)C[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5C(C)(C)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]23C)O1
InChIKey
WENNXORDXYGDTP-ODAITAILSA-N
InChI
InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3/t17-,18-,19-,20-,21+,22-,23-,26+,27-,28-,29-,30+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, (3β,6α,16β,24R)-
  • 1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene, 9,19-cyclolanostane-3,6,16,25-tetrol deriv.
  • (3β,6α,16β,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol
  • Cyclogalagenin
  • Cyclogalegigenin

Work with Cyclogalegenin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cycloastragenol78574-94-4Diastereomer

Similar compounds

Astragaloside III84687-42-360 % similar Astragaloside A83207-58-356 % similar Astragaloside IV84687-43-456 % similar Isoastragaloside iv136033-55-151 % similar Astragaloside II84676-89-149 % similar Astragaloside I84680-75-149 % similar Isoastragaloside ii86764-11-649 % similar Isoastragaloside I84676-88-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Eldecalcitol104121-92-8 Alisol A19885-10-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook