Hamaudol

C15H16O5CAS 735-46-6276.29 g/mol

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AlcoholEtherPhenol

Properties

Molecular formula
C15H16O5
Molar mass
276.29 g/mol
Exact mass
276.0998 Da
logP
1.88Crippen estimate
Polar surface area
79.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
735-46-6
SMILES
CC1=CC(=O)C2=C(C3=C(C=C2O1)OC([C@H](C3)O)(C)C)O
InChIKey
VOTLUFSYIRHICX-LBPRGKRZSA-N
InChI
InChI=1S/C15H16O5/c1-7-4-9(16)13-11(19-7)6-10-8(14(13)18)5-12(17)15(2,3)20-10/h4,6,12,17-18H,5H2,1-3H3/t12-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • (3S)-3,5-Dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
  • (3S)-3,5-Dihydroxy-2,2,8-trimethyl-3,4-dihydropyrano(3,2-g)chromen-6-one
  • (S)-3,5-Dihydroxy-2,2,8-trimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one
  • (-)-Hamaudol
  • (S)-5,7-Dihydroxy-2,8,8-trimethyl-7,8-dihydropyrano[3,2-g]chromen-4(6H)-one

Work with Hamaudol

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

sec-O-Glucosylhamaudol80681-44-364 % similar (+)-Decursinol23458-02-844 % similar Noreugenin1013-69-040 % similar Moracin P102841-46-340 % similar Rubrofusarin gentiobioside24577-90-037 % similar Mosloflavone740-33-033 % similar Visnagin82-57-533 % similar Cimifugin37921-38-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one39746-00-4

Elsewhere

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