(3β,9ξ)-3,14-Dihydroxycarda-5,20(22)-dienolide

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Systematic / IUPAC Name: 3-[(3S,8R,10R,13R,14S,17R)-3,14-Dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

ID: Reference7847

Other Names: 4-[(1R,3aS,3bR,7S,9aR,11aR)-3a,7-Dihydroxy-9a,11a-dimethyl-1H,2H,3H,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-5H-furan-2-one ;
Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3β,9ξ)-

Formula: C23H32O4

Spectral Data

(3β,9ξ)-3,14-Dihydroxycarda-5,20(22)-dienolide 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 2
No. of Spectra 954
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2018 7:53:42 AM
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Identificators

InChI InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h3,11,16-19,24,26H,4-10,12-13H2,1-2H3/t16-,17+,18?,19+,21-,22+,23-/m0/s1
InChI Key ZICGJBPBLVXOBM-XDZGWQDMSA-N
Canonical SMILES CC12CCC(CC1=CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O
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Other Names 4-[(1R,3aS,3bR,7S,9aR,11aR)-3a,7-Dihydroxy-9a,11a-dimethyl-1H,2H,3H,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-5H-furan-2-one ;
Carda-5,20(22)-dienolide, 3,14-dihydroxy-, (3β,9ξ)-

In Other Databases

ChemSpider 22913912
PubChem 45360043