AG002NEH

23496-41-5 | Cevane-3,6,20-triol, (3β,5α,6α)-

AG002NEH

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CAS Number	23496-41-5
Catalog Number	AG002NEH(AGN-PC-0QZQO2)
Chemical Name	Cevane-3,6,20-triol, (3β,5α,6α)-
IUPAC Name	(1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triol
InChI	InChI=1S/C27H45NO3/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/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
InChI Key	IUKLSMSEHKDIIP-BZMYINFQSA-N
MDL Number	MFCD02259442
Molecular Formula	C27H45NO3
Molecular Weight	431.6511
SMILES	[H][C@]12[C@]3([H])C[C@H](O)[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
UNII	34QDF8UFSY
Synonyms	peimine, verticine, verticinone, Peimine, 23496-41-5, Verticine, UNII-34QDF8UFSY, Wanpeinine A, 34QDF8UFSY, Zhebeinine, (3b,5a,6a)-cevane-3,6,20-triol, Wanpeinine-A, Zhebeinine;, 5,14-Cevanine-3,6,20-triol, 135636-54-3, Peimine,(S), AC1Q59MM, 107299-20-7, SCHEMBL336637, AC1L300B, CHEBI:9970, Peimine, >=98% (HPLC), 5alpha,14alpha,22beta-Cevanine-3beta,6alpha,20beta-triol, HY-N0212, ZINC8234364, MFCD02259442, AKOS025311477, AC-7969, AN-8452, CS-3731, VA11499, 4CN-1128, CC-33508, SC-46574, V0237, (3beta,5alpha,6alpha)-Cevane-3,6,20-triol, C10830, Cevane-3,6,20-triol, (3beta,5alpha,6alpha)-, 496P415, C-22256, Q-100298, Cevane-3,6,20-triol, (3beta,5alpha,6alpha,22beta)-, Cevane-3,6,20-triol, (3beta,5alpha,6alpha,25alpha)-, C27H45NO3, KST-1A3039, AR-1A4090, C27-H45-N-O3, CID131900, ACN-035298, 5.alpha.-Cevane-3.beta.,6.alpha.,20-triol, (3-beta,5-alpha,6-alpha)-Cevane-3,6,20-triol, Cevane-3,6,20-triol, (3.beta.,5.alpha.,6.alpha.)-, Peimine, 98%, from Fritillaria cirrhosa D. Don - 10MG 10mg, 239-85-0,

Complexity	715
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	13
Defined Bond Stereocenter Count	0
Exact Mass	431.34g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	431.661g/mol
Monoisotopic Mass	431.34g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	63.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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

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