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Neosartoricin B

CAT: 0931-TN8088-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8088-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1421708-43-1
Bioactivity
Neosartoricin B, a secondary metabolite produced by Aspergilus nidulans, may mediate immunomodulatory interactions with the host during the infection and colonization processes of pathogenic fungi.
Smiles
OC1=C2C(=C(CC=C(C)C)C=3C1=C(O)C=C(O)C3)C[C@](CC(/C=C(/C)\O)=O)(O)[C@H](O)C2=O
Molecular Formula
C24H26O8
Molecular Weight
442.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,3R)-2,3,6,8,9-Pentahydroxy-3-[(Z)-2-hydroxy-4-oxopent-2-enyl]-10-(3-methylbut-2-enyl)-2,4-dihydroanthracen-1-one
CAS Number1421708-43-1
PubChem CID155859159
IUPAC Name(2S,3R)-2,3,6,8,9-pentahydroxy-3-[(Z)-2-hydroxy-4-oxopent-2-enyl]-10-(3-methylbut-2-enyl)-2,4-dihydroanthracen-1-one
Molecular FormulaC24H26O8
Molecular Weight442.5
XLogP3.4
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity800
SMILES
CC(=CCC1=C2C=C(C=C(C2=C(C3=C1C[C@]([C@@H](C3=O)O)(C/C(=C/C(=O)C)/O)O)O)O)O)C
InChI
InChI=1S/C24H26O8/c1-11(2)4-5-15-16-7-13(26)8-18(28)19(16)21(29)20-17(15)10-24(32,23(31)22(20)30)9-14(27)6-12(3)25/h4,6-8,23,26-29,31-32H,5,9-10H2,1-3H3/b14-6-/t23-,24+/m1/s1
InChIKey
SKHLOOKFZVSRKY-DUYDJFMPSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-2,3,6,8,9-Pentahydroxy-3-[(Z)-2-hydroxy-4-oxopent-2-enyl]-10-(3-methylbut-2-enyl)-2,4-dihydroanthracen-1-one
CAS: 1421708-43-1
CID: 155859159
Formula: C24H26O8
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP33.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass442.16276778
Monoisotopic Mass442.16276778
Topological Polar Surface Area156 Ų
Heavy Atom Count32
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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