Jervine

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Systematic / IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-Hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one

ID: Reference2218

Other Names: Iervin;
11-Ketocyclopamine;
17,23β-Epoxy-3β-hydroxyveratraman-11-one;
Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3β,23β)-

Formula: C27H39NO3

Class: Natural Toxins Endogenous Metabolites Steroids/Vitamins/Hormones

Spectral Data

Jervine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/6/2015 3:28:42 PM
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Identificators

InChI InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChI Key CLEXYFLHGFJONT-DNMILWOZSA-N
Canonical SMILES CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1
CAS 469590
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Other Names Iervin;
11-Ketocyclopamine;
17,23β-Epoxy-3β-hydroxyveratraman-11-one;
Veratraman-11-one, 17,23-epoxy-3-hydroxy-, (3β,23β)-

In Other Databases

ChEMBL CHEMBL186779
PubChem 10098
Wikipedia Jervine
KEGG C10811
ChemIDPlus 000469590
ChemSpider 9694