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KAURENOLIDE
SpectraBase Compound ID BWBQD4gVfmG
InChI InChI=1S/C20H28O2/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3)16(18)14(11-20)22-17(19)21/h13-16H,1,4-11H2,2-3H3/t13-,14+,15+,16+,18+,19-,20-/m1/s1
InChIKey MIBCJFVWYKEQBK-LLCOKINKSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX2MbINHmr
Name Kaur-16-en-18-oic acid, 6-hydroxy-, .gamma.-lactone, (4.alpha.,6.alpha.)-
CAS Registry Number 13013-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3)16(18)14(11-20)22-17(19)21/h13-16H,1,4-11H2,2-3H3/t13-,14+,15+,16+,18+,19-,20-/m1/s1
InChIKey MIBCJFVWYKEQBK-LLCOKINKSA-N
Molecular Weight 300.442 g/mol
SMILES [C@]12([C@]3([C@@](C(=O)O[C@]3(C[C@@]34[C@]1(CC[C@](C4)(C(C3)=C)[H])[H])[H])(C)CCC2)[H])C
SPLASH splash10-052f-4920000000-a2bf625f68df47a2a86c
Source of Spectrum KC-1982-519-0
Synonyms (1S,2R,8S,10S,13R,17S)-1,13-dimethyl-6-methylene-11-oxapentacyclo[8.6.1.1(5,8).0(2,8).0(13,17)]octadecan-12-one 4H-6a,9-Methanocyclohepta[3,4]naphtho[1,8-bc]furan, kaur-16-en-18-oic acid deriv. ent-6.alpha.-hydroxy-5.beta.-kaur-16-en-19-oic acid 19,6-lactone Kaur-16-en-18-oic acid, 6.alpha.-hydroxy-, .gamma.-lactone Kaurenolide
Wiley ID 1303347