Arglabin

Catalog Number	ACM84692911-1
CAS Number	84692-91-1
Structure
Synonyms	(+)-Arglabin
Molecular Weight	246.3
Molecular Formula	C15H18O3
Canonical SMILES	C[C@]1(CC[C@](C2=C)([H])[C@@](OC2=O)([H])[C@@]3([H])C(C)=CC4)[C@]34O1
InChI	InChI=1S/C15H18O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,10-12H,2,5-7H2,1,3H3/t10-,11-,12-,14-,15+/m0/s1
InChI Key	UVJYAKBJSGRTHA-ZCRGAIPPSA-N
Melting Point	100-102 °C
Purity	99%+
Appearance	White to light yellow solid
Storage	Powder: -20 °C, 3 years In solvent: -80 °C, 6 months; -20 °C, 1 month
Complexity	506
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	246.125594432
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC1=CC[C@@]23[C@H]1[C@@H]4[C@@H](CC[C@@]2(O3)C)C(=C)C(=O)O4
Monoisotopic Mass	246.125594432
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	38.8 Ų

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