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Nanangenine B

CAT: 0931-T36904-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T36904-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609469-72-8
Target
Others
Related Pathways
Others
Bioactivity
Nanangenine B is a drimane sesquiterpene that has been found inAspergillus.1It is active againstB. subtilis (IC50= 62 μg/ml) and cytotoxic to NS-1 mouse myeloma cells (IC50= 38 μg/ml) .
Smiles
[H][C@@]12[C@H](OC(=O)CCCCC)C=C3COC(=O)[C@]3(O)[C@@]1(C)[C@H](O)CCC2(C)C
Molecular Formula
C21H32O6
Molecular Weight
380.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nanangenine B

(5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl hexanoate is a naphthofuran.

CAS Number1609469-72-8
PubChem CID90643507
IUPAC Name[(5R,5aS,9R,9aR,9bR)-9,9b-dihydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] hexanoate
Molecular FormulaC21H32O6
Molecular Weight380.5
XLogP2.6
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity653
SMILES
CCCCCC(=O)O[C@@H]1C=C2COC(=O)[C@@]2([C@@]3([C@@H]1C(CC[C@H]3O)(C)C)C)O
InChI
InChI=1S/C21H32O6/c1-5-6-7-8-16(23)27-14-11-13-12-26-18(24)21(13,25)20(4)15(22)9-10-19(2,3)17(14)20/h11,14-15,17,22,25H,5-10,12H2,1-4H3/t14-,15-,17+,20+,21+/m1/s1
InChIKey
AKSMCYXVBDZJRK-QOGIMEQTSA-N
Chemical Structure
2D Structure
2D structure of Nanangenine B
CAS: 1609469-72-8
CID: 90643507
Formula: C21H32O6
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass380.21988874
Monoisotopic Mass380.21988874
Topological Polar Surface Area93.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity653
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

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