Alisol A

CAT: 0127-OR1023030-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1023030-03Size:1 g

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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 Number	19885-10-0
PubChem CID	15558616
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 Formula	C30H50O5
Molecular Weight	490.7
XLogP	3.8
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	904

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

CAS: 19885-10-0

CID: 15558616

Formula: C30H50O5

MW: 490.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	490.7
XLogP3	3.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	490.36582469
Monoisotopic Mass	490.36582469
Topological Polar Surface Area	98 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	904
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
AB1084	Alisol A
FA44561-01	Alisol B
TN1368	Alisol C
TQ0249-01	Alisol G
379543	Alisol O
TQ0248-01	Alisol F
GTR19236881-01	Alisol P

Alisol A

Chemical Information

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