AG00ABMW

18674-16-3 | Alisol A 24-acetate

AG00ABMW

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CAS Number	18674-16-3
Catalog Number	AG00ABMW(AGN-PC-0QFUTS)
Chemical Name	Alisol A 24-acetate
IUPAC Name	[(3R,4S,6R)-2,4-dihydroxy-6-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptan-3-yl] acetate
InChI	InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1
InChI Key	WXHUQVMHWUQNTG-JSWHPQHOSA-N
MDL Number	MFCD30478880
Molecular Formula	C32H52O6
Molecular Weight	532.7517
SMILES	CC1(C)C(CC[C@]2(C)[C@]3([H])[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](OC(C)=O)C(C)(O)C)CC[C@@](C)4[C@](C)3CC[C@@]12[H])=O
Synonyms	24-acetylalisol A, alisol A 24-acetate, alisol A 24-acetate, Alisol A (24-acetate), 18674-16-3, Alisol A 24-monoacetate, 24-O-Acetylalisol A;, CHEMBL3121587, HY-N0853A, KS-00000TTC, ZINC26826463, AKOS030632795, CS-3651, 24-acetylalisol A, Alisol-A-24-acetate, C457233,

Complexity	1010
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Exact Mass	532.376g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	532.762g/mol
Monoisotopic Mass	532.376g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	104A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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