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Liquidambaric lactone

CAT: 1410-M22856-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M22856-02Size:5 mg
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Description
Liquidambaric lactone is a compound isolated from Euonymus grandiflorus Wall.Liquidambaric lactone may have inhibitory HIV-1 reverse transcriptase activity.
CAS Number
185051-75-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
468.67
Molecular Formula
C30H44O4
Notes
Research use only, not for human use.
Receptor
HIV-1

Chemical Information

Liquidambaric lactone

(1S,2S,4S,5R,6S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.0¹,¹⁵.0²,⁴.0⁵,¹⁴.0⁶,¹¹.0¹⁸,²³]pentacosane-9,25-dione has been reported in Liquidambar formosana with data available.

CAS Number185051-75-6
PubChem CID101335199
IUPAC Name(1S,2S,4S,5R,6S,11R,14R,15S,18S,23R)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione
Molecular FormulaC30H44O4
Molecular Weight468.7
XLogP6.1
Topological Polar Surface Area55.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity1010
SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2[C@H]4[C@H](O4)[C@@]56[C@]3(CC[C@@]7([C@H]5CC(CC7)(C)C)C(=O)O6)C)C)(C)C
InChI
InChI=1S/C30H44O4/c1-24(2)12-14-29-15-13-28(7)27(6)11-8-17-25(3,4)19(31)9-10-26(17,5)21(27)20-22(33-20)30(28,18(29)16-24)34-23(29)32/h17-18,20-22H,8-16H2,1-7H3/t17-,18+,20-,21+,22-,26-,27+,28-,29-,30+/m0/s1
InChIKey
ATQBPBZOVWXRTA-PNZWHSTPSA-N
Chemical Structure
2D Structure
2D structure of Liquidambaric lactone
CAS: 185051-75-6
CID: 101335199
Formula: C30H44O4
MW: 468.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.7
XLogP36.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass468.32395988
Monoisotopic Mass468.32395988
Topological Polar Surface Area55.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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300572-01Liquidambaric Lactone
A14639-50Liquidambaric lactone 50mg
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A14639-5Liquidambaric lactone 5mg
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