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1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
SpectraBase Compound ID EPLaXJOymF0
InChI InChI=1S/C22H30O5/c1-12-14-6-7-15-20(3)8-5-9-21(4,19(25)26)16(20)10-17(27-13(2)23)22(15,11-14)18(12)24/h14-17H,1,5-11H2,2-4H3,(H,25,26)/t14-,15-,16-,17-,20-,21-,22+/m1/s1
InChIKey RUHZHLBOQLNVIX-LECCRNLGSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1s4hIOFQiah
Name 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
CAS Registry Number 66275-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-12-14-6-7-15-20(3)8-5-9-21(4,19(25)26)16(20)10-17(27-13(2)23)22(15,11-14)18(12)24/h14-17H,1,5-11H2,2-4H3,(H,25,26)/t14-,15-,16-,17-,20-,21-,22+/m1/s1
InChIKey RUHZHLBOQLNVIX-LECCRNLGSA-N
Molecular Weight 374.477 g/mol
SMILES OC([C@]1([C@@]2(C[C@]([C@@]34C(C(=C)[C@@](C4)(CC[C@@]3([C@]2(CCC1)C)[H])[H])=O)(OC(=O)C)[H])[H])C)=O
SPLASH splash10-03di-0239000000-ca0bbb1006ec13b1663e
Source of Spectrum F-33-2454-0
Synonyms Kaur-16-en-18-oic acid, 7-(acetyloxy)-15-oxo-, (4.alpha.,7.alpha.)- (4beta,7alpha,13alpha)-7-(acetyloxy)-15-oxokaur-16-en-18-oic acid ent-7.beta.-acetoxy-15-oxo-kaur-16-en-19-oic acid
Wiley ID 1356738