chempirical

Mulberroside C

C24H26O9CAS 102841-43-0458.46 g/mol

Open in Covalent MOL file
OOOOHOHOHOOHOH
AcetalAlcoholEtherPhenol

Properties

Molecular formula
C24H26O9
Molar mass
458.46 g/mol
Exact mass
458.1577 Da
logP
1.70Crippen estimate
Polar surface area
142.0 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
3
Stereocentres
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
102841-43-0
SMILES
CC1(C(CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)C
InChIKey
OHVJCFZJKPEJRL-BOWLQXBNSA-N
InChI
InChI=1S/C24H26O9/c1-24(2)20(27)7-12-3-11-6-17(32-18(11)9-19(12)33-24)13-4-14(25)8-15(5-13)31-23-22(29)21(28)16(26)10-30-23/h3-6,8-9,16,20-23,25-29H,7,10H2,1-2H3/t16-,20?,21+,22-,23+/m1/s1

Weigh it out

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

Work with Mulberroside C

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

(+)-Decursinol23458-02-844 % similar 4-Methylumbelliferyl β-D-xyloside6734-33-435 % similar 4-Methylumbelliferyl α-L-arabinopyranoside69414-26-235 % similar Guaijaverin22255-13-633 % similar Reynoutrin549-32-633 % similar Nodakenin495-31-832 % similar P-Nitrophenyl β-D-xylopyranoside2001-96-932 % similar Apigenin 7-O-rutinoside552-57-832 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook