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Kaur-16-ene-3,13,18-triol, cyclic 3,18-(ethylidene acetal), (3.alpha.,4.alpha.)-
SpectraBase Compound ID DHOWl6gBnDS
InChI InChI=1S/C22H34O3/c1-15-12-21-8-4-16-19(2,17(21)5-9-22(15,23)13-21)7-6-18-20(16,3)14-24-10-11-25-18/h16-18,23H,1,4-14H2,2-3H3/t16?,17?,18-,19-,20-,21+,22?/m0/s1
InChIKey OZPBGWBOBBLHML-RNRGYLGFSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QewE6vTLde
Name Kaur-16-ene-3,13,18-triol, cyclic 3,18-(ethylidene acetal), (3.alpha.,4.alpha.)-
Alternate Name(s) (1R,5R,11S,14R)-5,14-dimethyl-19-methylene-7,10-dioxapentacyclo[16.2.1.0(1,15).0(4,14).0(5,11)]henicosan-18-ol 4H-6a,9-methanocyclohepta[5,6]naphtho[2,1-d]-1,3-dioxin, kaur-16-ene-3,13,18-triol deriv. ent-3b,19-ethylidenedioxy-13-hydroxy-kaur-16-ene
CAS Registry Number 59655-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-15-12-21-8-4-16-19(2,17(21)5-9-22(15,23)13-21)7-6-18-20(16,3)14-24-10-11-25-18/h16-18,23H,1,4-14H2,2-3H3/t16?,17?,18-,19-,20-,21+,22?/m0/s1
InChIKey OZPBGWBOBBLHML-RNRGYLGFSA-N
Molecular Weight 346.511 g/mol
SMILES OC12CCC3[C@@](C2)(CC1=C)CCC1[C@@]2(COCCO[C@]2(CC[C@]31C)[H])C
SPLASH splash10-0ue9-0019000000-0373b1bf3d15da902d47
Source of Spectrum F-32-365-0
Wiley ID 1339608