chempirical

Dihydrocucurbitacin F

C30H48O7CAS 50298-90-3520.71 g/mol

Open in Covalent MOL file
HOOOHHOOHOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C30H48O7
Molar mass
520.71 g/mol
Exact mass
520.3400 Da
Melting point
155–156 °C
logP
2.94Crippen estimate
Polar surface area
135.3 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
5
Stereocentres
R, R, R, S, S, R, S, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
50298-90-3
SMILES
CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
InChIKey
VVBWBGOEAVGFTN-LPQIEKFGSA-N
InChI
InChI=1S/C30H48O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,24-,27+,28-,29+,30+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 19-Norlanost-5-ene-11,22-dione, 2,3,16,20,25-pentahydroxy-9-methyl-, (2β,3α,9β,10α,16α)-
  • (2β,3α,9β,10α,16α)-2,3,16,20,25-Pentahydroxy-9-methyl-19-norlanost-5-ene-11,22-dione
  • 23,24-Dihydrocucurbitacin F
  • Cucurbitacin IIb
  • Hemslecin B

Work with Dihydrocucurbitacin F

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

Hemslecin A58546-34-279 % similar Cucurbitacin D3877-86-951 % similar (+)-Cucurbitacin B6199-67-348 % similar Picfeltarraenin X1391826-61-145 % similar Cucurbitacin E18444-66-142 % similar Cucurbitacin A6040-19-338 % similar Cucurbitacin S60137-06-631 % similar Oleanonic acid17990-42-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook