chempirical

Ruscogenin

C27H42O4CAS 472-11-7430.63 g/mol

Open in Covalent MOL file
OOOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C27H42O4
Molar mass
430.63 g/mol
Exact mass
430.3083 Da
Melting point
198–202 °C
logP
4.68Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
R, R, S, S, S, R, R, R, S, S, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
472-11-7
SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
InChIKey
QMQIQBOGXYYATH-IDABPMKMSA-N
InChI
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16+,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • Spirost-5-ene-1,3-diol, (1β,3β,25R)-
  • Spirost-5-ene-1β,3β-diol, (25R)-
  • Spiro[8H-naphth[2′,1′:4,5]indeno[2,1-b]furan-8,2′-[2H]pyran], spirost-5-ene-1,3-diol deriv.
  • (1β,3β,25R)-Spirost-5-ene-1,3-diol
  • 25D-Spirost-5-ene-1β,3β-diol
  • 25R-Ruscogenin

Work with Ruscogenin

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

Similar compounds

Diosgenin512-04-976 % similar Yamogenin512-06-176 % similar Neoruscogenin17676-33-474 % similar Ophiopogonin D945619-74-962 % similar Sarsasapogenin126-19-259 % similar Tigogenin77-60-159 % similar Trillin14144-06-057 % similar Solasodine126-17-054 % similar

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

Same formula

Calcipotriol monohydrate147657-22-5 (+)-Hecogenin467-55-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook