AG000FR1

115028-67-6 | Pseudolaric acid D

AG000FR1

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CAS Number	115028-67-6
Catalog Number	AG000FR1(AGN-PC-0P71ZM)
Chemical Name	Pseudolaric acid D
IUPAC Name	(1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
InChI	InChI=1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1
InChI Key	WUENWZUJMIZJPA-UBTCDGAASA-N
MDL Number	MFCD20260425
Molecular Formula	C20H30O3
Molecular Weight	318.4504
SMILES	C[C@@](CO)([C@@]1([H])CC[C@@]2(C=C3C(O)=O)C[C@@]3([H])CC[C@@]42[H])CCC[C@]14C
Synonyms	Pseudolaric acid D, 115028-67-6, ZINC95914579, AKOS032961895, W1419, Kaur-15-en-17-oic acid, 18-hydroxy-, (4beta)-, C20H30O3,

Complexity	567
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Exact Mass	318.219g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	318.457g/mol
Monoisotopic Mass	318.219g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number