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Rishirilide B

CAT: 0931-T123912-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T123912-01Size:1 mg
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CAS Number
93361-67-2
Target
Others
Related Pathways
Others
Bioactivity
Rishirilide B is a natural product that can be used as a reference standard. The CAS number of Rishirilide B is 93361-67-2.
Smiles
CC(C)CC[C@@]1(O)c2cc3c(O)cccc3cc2C(=O)[C@H](C)[C@]1(O)C(O)=O
Molecular Formula
C21H24O6
Molecular Weight
372.417
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rishirilide B

Rishirilide B is a member of anthracenes.

CAS Number93361-67-2
PubChem CID139589309
IUPAC Name(1R,2R,3S)-1,2,8-trihydroxy-3-methyl-1-(3-methylbutyl)-4-oxo-3H-anthracene-2-carboxylic acid
Molecular FormulaC21H24O6
Molecular Weight372.4
XLogP3.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity603
SMILES
C[C@@H]1C(=O)C2=C(C=C3C(=C2)C=CC=C3O)[C@@]([C@]1(C(=O)O)O)(CCC(C)C)O
InChI
InChI=1S/C21H24O6/c1-11(2)7-8-20(26)16-10-14-13(5-4-6-17(14)22)9-15(16)18(23)12(3)21(20,27)19(24)25/h4-6,9-12,22,26-27H,7-8H2,1-3H3,(H,24,25)/t12-,20-,21+/m1/s1
InChIKey
QUASHMJEJFFXLB-YFMVFKIRSA-N
Chemical Structure
2D Structure
2D structure of Rishirilide B
CAS: 93361-67-2
CID: 139589309
Formula: C21H24O6
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass372.15728848
Monoisotopic Mass372.15728848
Topological Polar Surface Area115 Ų
Heavy Atom Count27
Formal Charge0
Complexity603
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19229579-01Rishirilide B

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