CAS 467-55-0 | (25R);-3b-Hydroxy-5a-spirostan-12-one | CAS Number 467-55-0

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467-55-0 | (25R);-3b-Hydroxy-5a-spirostan-12-one

CAS No: 467-55-0 Catalog No: AG003QUC MDL No:MFCD00067285

Product Description

Catalog Number:

AG003QUC

Chemical Name:

(25R);-3b-Hydroxy-5a-spirostan-12-one

CAS Number:

467-55-0

Molecular Formula:

C27H42O4

Molecular Weight:

430.6200

MDL Number:

MFCD00067285

IUPAC Name:

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one

InChI:

InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1

InChI Key:

QOLRLLFJMZLYQJ-LOBDNJQFSA-N

SMILES:

C[C@@H]1CC[C@@]2(OC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC[C@@H]3[C@]([C@H]1CC2=O)(C)CC[C@@H](C3)O)C

EC Number:

207-392-4

UNII:

3XP44JJ79F

Properties

Complexity:

766

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

430.308g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

430.629g/mol

Monoisotopic Mass:

430.308g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

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Regioselective cleavage of 22-oxo-23-spiroketals. Novel cholestanic frameworks with pyranone and cyclopentenone E rings on the side chain.	Steroids 20120401
Role of human UGT2B10 in N-glucuronidation of tricyclic antidepressants, amitriptyline, imipramine, clomipramine, and trimipramine.	Drug metabolism and disposition: the biological fate of chemicals 20100501
Identification of the UDP-glucuronosyltransferase isozyme involved in senecionine glucuronidation in human liver microsomes.	Drug metabolism and disposition: the biological fate of chemicals 20100401
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Deacylation reactions of 20-acetyl dinorcholanic lactones and 20,23-diacetyl furost-22-enes.	Steroids 20100301
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Characterization of 1'-hydroxymidazolam glucuronidation in human liver microsomes.	Drug metabolism and disposition: the biological fate of chemicals 20080201
Inhibition of human rheumatoid arthritis synovial cell survival by hecogenin and tigogenin is associated with increased apoptosis, p38 mitogen-activated protein kinase activity and upregulation of cyclooxygenase-2.	International journal of molecular medicine 20071001
In vitro characterization of lamotrigine N2-glucuronidation and the lamotrigine-valproic acid interaction.	Drug metabolism and disposition: the biological fate of chemicals 20060601
4-Aminobiphenyl N-glucuronidation by liver microsomes: optimization of the reaction conditions and characterization of the UDP-glucuronosyltransferase isoforms.	Journal of applied toxicology : JAT 20060101
On the formation of 4-[N,N-bis(2-chloroethyl)amino]phenyl acetic acid esters of hecogenin and aza-homo-hecogenin and their antileukemic activity.	Farmaco (Societa chimica italiana : 1989) 20051001
Synthesis and cytogenetic studies of structure--biological activity relationship of esters of Hecogenin and aza-homo-Hecogenin with N,N-bis(2-chloroethyl)aminocinnamic acid isomers.	Steroids 20050801
Phytochemical analysis and anti-allergic study of Agave intermixta Trel. and Cissus sicyoides L.	The Journal of pharmacy and pharmacology 20040901
Polyphosphoric acid trimethylsilyl ester promoted intramolecular acylation of an olefin by a carboxylic acid: convenient construction of C-18-functionalized delta14-hecogenin acetate.	Organic letters 20031030
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Different contribution of apoptosis to the antiproliferative effects of diosgenin and other plant steroids, hecogenin and tigogenin, on human 1547 osteosarcoma cells.	International journal of oncology 20030401