(5ξ)-12,13-Dihydroxypodocarpa-8,11,13-trien-7-one

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Systematic / IUPAC Name: (4aS)-6,7-Dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

ID: Reference7832

Other Names: Nimbidiol ;
9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6,7-dihydroxy-1,1,4a-trimethyl-, (4aS)-

Formula: C17H22O3

Spectral Data

(5ξ)-12,13-Dihydroxypodocarpa-8,11,13-trien-7-one 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 7:09:10 AM
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Identificators

InChI InChI=1S/C17H22O3/c1-16(2)5-4-6-17(3)11-8-14(20)13(19)7-10(11)12(18)9-15(16)17/h7-8,15,19-20H,4-6,9H2,1-3H3/t15?,17-/m1/s1
InChI Key JMBKXUYCBVKSSY-OMOCHNIRSA-N
Canonical SMILES CC1(CCCC2(C1CC(=O)C3=CC(=C(C=C32)O)O)C)C
CAS
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Other Names Nimbidiol ;
9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6,7-dihydroxy-1,1,4a-trimethyl-, (4aS)-

In Other Databases

PubChem 14167551
ChemSpider 21615375