AG002B07

19773-24-1 | Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-

AG002B07

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CAS Number	19773-24-1
Catalog Number	AG002B07(AGN-PC-0QPATI)
Chemical Name	Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-
IUPAC Name	(3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one
InChI	InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1
InChI Key	KYELXPJVGNZIGC-GKFGJCLESA-N
MDL Number	MFCD10566619
Molecular Formula	C27H41NO3
Molecular Weight	427.6193
SMILES	O=C1[C@](C[C@@H](O)CC2)([H])[C@@]2(C)[C@@]3([H])CC4=C(C)[C@@]5(O[C@@]6([H])[C@@]([C@H]5C)([H])NC[C@@H](C)C6)CC[C@@]4([H])[C@]3([H])C1
Synonyms	peimisine, peimissine, Peimisine, 19773-24-1, Ebeiensine, Peimissine, Ebeiensine;, Veratraman-6(5h)-one, AC1L4P5M, 139893-27-9, SCHEMBL20544867, KYELXPJVGNZIGC-GKFGJCLESA-N, HY-N0214, MFCD30207851, ZINC70454883, AKOS015888866, CS-3730, N2537, I01-16682, Veratraman-6(5H)-one, 17,23-epoxy-3-hydroxy-, (3beta)-, Veratraman-6(5H)-one, 17,23-epoxy-3-hydroxy-, (3beta,5alpha,23beta)-, (3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,6,6a,6b,7,8,11,11a-dodecahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-5-one, Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-5(6H)-one, 1,2,3,3'a,4,4',4a,5',6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3-hydroxy-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,4aS,6'S,6aR,6bS,7'aR,11aS,11bR)-, C27H41NO3, AR-1L8132, AR-1L8133, C27-H41-N-O3, CID161294, ACN-047285, Peimisine, 98%, from Fritillaria cirrhosa D. Don - 5MG 5mg, veratraman-6(5h)-one, 17,23-epoxy-3-hydroxy-,(3|A,5|A,23|A)-, 2270-61-3, 22705-94-8,

Complexity	821
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Defined Bond Stereocenter Count	0
Exact Mass	427.309g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	427.629g/mol
Monoisotopic Mass	427.309g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number