AG002256

18059-10-4 | Cevan-6-one, 3,20-dihydroxy-, (3β,5α)-

AG002256

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CAS Number	18059-10-4
Catalog Number	AG002256(AGN-PC-0QBUWN)
Chemical Name	Cevan-6-one, 3,20-dihydroxy-, (3β,5α)-
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
InChI	InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,25-,26+,27-/m0/s1
InChI Key	IQDIERHFZVCNRZ-YUYPDVIUSA-N
MDL Number	MFCD00210542
Molecular Formula	C27H43NO3
Molecular Weight	429.6352
SMILES	[H][C@]12[C@]3([H])CC([C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])C[C@]([H])1[C@]5([H])CN6C[C@@H](C)CC[C@]([H])6[C@@](C)(O)[C@]([H])5CC2)=O
UNII	QUB07U6VTQ
Synonyms	3beta, 20-dihydroxy-5alpha-cevan-6-one, fritillarine, imperialine, peiminine, peiminine hydrochloride, (3beta,5alpha,17beta)-isomer, peiminine nitrate salt, (3beta,5alpha,17beta)-isomer, peiminine, (3beta,5alpha,17beta)-isomer, peiminine, (3beta,5alpha,25alpha)-isomer, sipeimine, zhebeinone, Peiminine, 18059-10-4, UNII-QUB07U6VTQ, verticinone, Zhebeinone, QUB07U6VTQ, Fritillarine, Kashmirine, C27H43NO3, 3beta,20-Dihydroxy-5alpha-cevan-6-one, Fritillarine;, Kashmirine;, Verticinone;, 61825-98-7, Peininine ,(S), Cevan-6-one, 3,20-dihydroxy-, (3beta,5alpha)-, AC1L50EW, AC1Q6P7C, CHEBI:5886, SCHEMBL5956998, HY-N0213, MFCD00210542, ZINC30727228, AKOS015895686, AC-7988, CCG-208360, CS-3732, X1200, C10808, 059P104, C-22230, Q-100214, Imperialine, sipeimine, Raddeamine, UNII-JKN43410XZ, AR-1L8142, C27-H43-N-O3, CID167691, ACN-047123, (3-beta,5-alpha)-3,20-Dihydroxycevan-6-one, 5.alpha.-Cevan-6-one, 3.beta.,20-dihydroxy-, Cevan-6-one, 3,20-dihydroxy-, (3-beta,5-alpha,17-beta)-, (3-beta,5-alpha,17-beta)-3,20-Dihydroxycevan-6-one, Cevan-6-one, 3,20-dihydroxy-, (3.beta.,5.alpha.)-, Peiminine, 98%, from Fritillaria cirrhosa D. Don - 5MG 5mg, Cevan-6-one, 3,20-dihydroxy-, (3.beta.,5.alpha.,17.beta.)-, 21258-09-3,

Complexity	755
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	0
Exact Mass	429.324g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	429.645g/mol
Monoisotopic Mass	429.324g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	60.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Siginal words

Certificate of Analysis

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