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Alisol A

CAT: 0127-OR1023030-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1023030-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19885-10-0
Synonyms
(5R,8S,9S,10S,11S,14R) -11-hydroxy-4,4,8,10,14-pentamethyl-17-[ (2R,4S,5R) -4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Purity
98%
Smiles
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O

Chemical Information

Alisol A

has anti-hepatitis B virus activity; structure

CAS Number19885-10-0
PubChem CID15558616
IUPAC Name(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H50O5
Molecular Weight490.7
XLogP3.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity904
SMILES
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI
InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1
InChIKey
HNOSJVWYGXOFRP-UNPOXIGHSA-N
Chemical Structure
2D Structure
2D structure of Alisol A
CAS: 19885-10-0
CID: 15558616
Formula: C30H50O5
MW: 490.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.7
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass490.36582469
Monoisotopic Mass490.36582469
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity904
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

Alternative Products

CatalogName
AB1084Alisol A
M32632-01Alisol P
M31279-01Alisol C
M29616-01Alisol G
FA44561-01Alisol B
TQ0248-01Alisol F
379543Alisol O

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