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Rubrolone

CAT: 0931-T34443-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34443-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65445-21-8
Target
Others
Related Pathways
Others
Bioactivity
Rubrolone is a natural tropolonoid with a unique carbon skeleton.
Smiles
CCCc1nc(C)cc-2c1C(=O)c1cc(O)c3c(OC4OC(C)C(O)C(O)C34O)c(=O)c-21
Molecular Formula
C23H23NO8
Molecular Weight
441.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rubrolone

(15S,16R,17S,18R,20R)-2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione has been reported in Streptomyces echinoruber with data available.

CAS Number65445-21-8
PubChem CID139589131
IUPAC Name(15S,16R,17S,18R,20R)-2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
Molecular FormulaC23H23NO8
Molecular Weight441.4
XLogP-0.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity982
SMILES
CCCC1=NC(=CC2=C1C(=O)C3=CC(=O)C4=C(C(=C32)O)O[C@@H]5[C@]4([C@@H]([C@@H]([C@H](O5)C)O)O)O)C
InChI
InChI=1S/C23H23NO8/c1-4-5-12-15-10(6-8(2)24-12)14-11(18(15)27)7-13(25)16-20(19(14)28)32-22-23(16,30)21(29)17(26)9(3)31-22/h6-7,9,17,21-22,26,28-30H,4-5H2,1-3H3/t9-,17-,21-,22-,23+/m1/s1
InChIKey
FSBWLHLWIYLPKF-VLFXKYBSSA-N
Chemical Structure
2D Structure
2D structure of Rubrolone
CAS: 65445-21-8
CID: 139589131
Formula: C23H23NO8
MW: 441.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.4
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass441.14236669
Monoisotopic Mass441.14236669
Topological Polar Surface Area146 Ų
Heavy Atom Count32
Formal Charge0
Complexity982
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-122397Rubrolone

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