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Hexanorcucurbitacin F

CAT: 0931-T123847-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T123847-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96253-53-1
Target
Others
Related Pathways
Others
Bioactivity
Hexanorcucurbitacin F is a useful organic compound for research related to life sciences. The catalog number is T123847 and the CAS number is 96253-53-1.
Smiles
[H][C@@]12C[C@H](O)[C@@H](O)C(C)(C)C1=CC[C@@]1([H])[C@]3(C)C[C@@H](O)[C@H](C(C)=O)[C@@]3(C)CC(=O)[C@@]21C |c:11|
Molecular Formula
C24H36O5
Molecular Weight
404.547
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hexanorcucurbitacin F

Hexanorcucurbitacin F has been reported in Elaeocarpus dolichostylus with data available.

CAS Number96253-53-1
PubChem CID23247204
IUPAC Name(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-acetyl-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Molecular FormulaC24H36O5
Molecular Weight404.5
XLogP1.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count29
Formal Charge0
Complexity799
SMILES
CC(=O)[C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H]([C@H](C4(C)C)O)O)C)C)C)O
InChI
InChI=1S/C24H36O5/c1-12(25)19-16(27)10-22(4)17-8-7-13-14(9-15(26)20(29)21(13,2)3)24(17,6)18(28)11-23(19,22)5/h7,14-17,19-20,26-27,29H,8-11H2,1-6H3/t14-,15+,16-,17+,19+,20-,22+,23-,24+/m1/s1
InChIKey
LUCBGVQZYRKKHI-KFOIKILMSA-N
Chemical Structure
2D Structure
2D structure of Hexanorcucurbitacin F
CAS: 96253-53-1
CID: 23247204
Formula: C24H36O5
MW: 404.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass404.25627424
Monoisotopic Mass404.25627424
Topological Polar Surface Area94.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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