AG001Y2V

16844-71-6 | 24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3β,4β,5β,8α,9β,10α,13α,14β)-

AG001Y2V

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CAS Number	16844-71-6
Catalog Number	AG001Y2V(AGN-PC-0Q98SA)
Chemical Name	24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3β,4β,5β,8α,9β,10α,13α,14β)-
IUPAC Name	(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
InChI	InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
InChI Key	XCDQFROEGGNAER-PFOIMGGJSA-N
MDL Number	MFCD04039822
Molecular Formula	C30H52O
Molecular Weight	428.7333
NSC Number	741685
SMILES	C[C@@]12[C@](CC[C@@]3([C@@]2(CC[C@]4([C@]3(CC[C@@H]([C@@H]4C)O)[H])C)[H])C)(C)[C@]5([C@](CCC(C)(C5)C)(CC1)C)[H]
Synonyms	3beta-friedelinol, epi-friedelinol, epifriedelanol, friedelanol, friedelinol, friedelinol, (3beta)-isomer, Epifriedelanol, 16844-71-6, Epifriedelinol, Friedelan-3beta-ol, Epi-Friedelanol, CHEBI:80941, (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol, Epifriendelanol, Friedelin-3beta-ol, Longan triterpane A, beta-Friedelinol, 3Beta-Friedelanol, 3beta-Hydroxyfriedelane, AC1L3OGK, CHEMBL464649, SCHEMBL2989072, ZINC6067010, MFCD04039822, NSC741685, AKOS015896828, NSC-741685, 24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3beta,4beta,5beta,8alpha,9beta,10alpha,13alha,14beta)-, 5,9,13-Trimethyl-24,25,26-trinoroleanan-3-ol (3beta,4beta,5beta,8alpha,9beta,10alpha,13alha,14beta)-, N2228, C17123, 844E716, A811339, I07-0162, Friedelanol, D:A-Friedooleanan-3.beta.-ol, AR-1I7147, C30-H52-O, CID119242, ACN-035304, D:A-Friedooleanan-3-ol, (3.beta.)-, 1716-42-3,

Complexity	741
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	0
Exact Mass	428.402g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	428.745g/mol
Monoisotopic Mass	428.402g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number