Byakangelicol

C17H16O6CAS 26091-79-2316.31 g/mol

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EpoxideEther

Properties

Molecular formula
C17H16O6
Molar mass
316.31 g/mol
Exact mass
316.0947 Da
Melting point
106 °C
logP
3.10Crippen estimate
Polar surface area
74.3 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26091-79-2
SMILES
COc1c2ccoc2c(OC[C@H]2OC2(C)C)c2oc(=O)ccc12
InChIKey
ORBITTMJKIGFNH-LLVKDONJSA-N
InChI
InChI=1S/C17H16O6/c1-17(2)11(23-17)8-21-16-14-10(6-7-20-14)13(19-3)9-4-5-12(18)22-15(9)16/h4-7,11H,8H2,1-3H3/t11-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2R)-3,3-dimethyl-2-oxiranyl]methoxy]-4-methoxy-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-(2,3-epoxy-3-methylbutoxy)-4-methoxy-, (R)-(+)-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(3,3-dimethyloxiranyl)methoxy]-4-methoxy-, (R)-
  • 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[[(2R)-3,3-dimethyloxiranyl]methoxy]-4-methoxy-
  • 9-[[(2R)-3,3-Dimethyl-2-oxiranyl]methoxy]-4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
  • Biacangelicol

Work with Byakangelicol

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

(+)-Heraclenin2880-49-165 % similar Isopimpinellin482-27-965 % similar Oxypeucedanin737-52-063 % similar Phellopterin2543-94-459 % similar Pimpinellin131-12-457 % similar Meranzin23971-42-847 % similar Bergapten484-20-845 % similar 8-Methoxypsoralen298-81-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,7-Tetramethoxyxanthone22804-52-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook