AG00IKL2

74285-86-2 | Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)-

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CAS Number	74285-86-2
Catalog Number	AG00IKL2(AGN-PC-0U4X0Y)
Chemical Name	Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)-
IUPAC Name	(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
InChI	InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1
InChI Key	KPXIBWGPZSPABK-FXAWDEMLSA-N
MDL Number	MFCD00210567
Molecular Formula	C20H24O3
Molecular Weight	312.4028
SMILES	OC1=C(C=CC=2[C@]3(CCC4=C(COC4=O)[C@@H]3CCC12)C)C(C)C
Synonyms	triptophenolide, tryptophenolide, Triptophenolide, 74285-86-2, Hypolide, Tryptophenolide, Triptohenolide, (-)-triptophenolide, (+)-Triptophenolide, Spectrum_001722, SpecPlus_000566, Spectrum2_001618, Spectrum3_001928, Spectrum4_001660, Spectrum5_000539, Hypolide (Triptophenolide), AC1L59XA, BSPBio_003528, KBioGR_002159, KBioSS_002202, DivK1c_006662, SPECTRUM1504005, SPBio_001655, CHEMBL3039217, SCHEMBL19236270, KBio1_001606, KBio2_002202, KBio2_004770, KBio2_007338, KBio3_002756, CHEBI:114185, (3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one, BCP26008, HY-N0475, ZINC2558155, BDBM50199857, CCG-38739, MFCD00210567, AKOS015897179, CS-3764, SDCCGMLS-0066775.P001, N2059, 285T862, SR-05000002569, I07-0312, SR-05000002569-1, BRD-K73210450-001-02-3, BRD-K73210450-001-03-1, Phenanthro(1,2-c)furan-1(3H)-one, 3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR-trans)-, Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR,9bS)-, Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)-, CID173273, ACN-047265,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	312.173g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	312.409g/mol
Monoisotopic Mass	312.173g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number