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Cucurbitacin D

CAT: 0957-E0701-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0957-E0701-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cucurbitacin D is an active component in Cucurbita texana, disrupts maturation of HSP90 and interactions between Hsp90 and two co-chaperones, Cdc37 and p23.
CAS Number
3877-86-9
Target
HSP (HSP90)
Activity
Cytoskeletal Signaling
Molecular Formula
C30H44O7
Storage Conditions
3 years -20°C powder

Chemical Information

Cucurbitacin D

Cucurbitacin D is a cucurbitacin in which a lanostane skeleton is multi-substituted with hydroxy, methyl and oxo substituents, with unsaturation at positions 5 and 23. It is a tertiary alpha-hydroxy ketone, a cucurbitacin and a secondary alpha-hydroxy ketone. It derives from a hydride of a lanostane.

CAS Number3877-86-9
PubChem CID5281318
IUPAC Name(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP2.1
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity1100
SMILES
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
InChI
InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChIKey
SRPHMISUTWFFKJ-QJNWWGCFSA-N
Chemical Structure
2D Structure
2D structure of Cucurbitacin D
CAS: 3877-86-9
CID: 5281318
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area132 Ų
Heavy Atom Count37
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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