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19-Acetoxy-5(R),15,18(R and S)-trihydroxyspata-13,16(E)-diene
SpectraBase Compound ID JAGRuQJEzmD
InChI InChI=1S/C22H34O5/c1-12-6-7-16-19(12)20-15(10-18(25)22(16,20)5)13(2)17(24)8-9-21(4,26)11-27-14(3)23/h8-9,12,15-20,24-26H,2,6-7,10-11H2,1,3-5H3/b9-8+/t12?,15?,16?,17?,18-,19?,20?,21?,22?/m1/s1
InChIKey UXICUUKBZBBBOI-BCIRJLHISA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpDDPOJoYor
Name 19-Acetoxy-5(R),15,18(R and S)-trihydroxyspata-13,16(E)-diene
CAS Registry Number 77136-61-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-12-6-7-16-19(12)20-15(10-18(25)22(16,20)5)13(2)17(24)8-9-21(4,26)11-27-14(3)23/h8-9,12,15-20,24-26H,2,6-7,10-11H2,1,3-5H3/b9-8+/t12?,15?,16?,17?,18-,19?,20?,21?,22?/m1/s1
InChIKey UXICUUKBZBBBOI-BCIRJLHISA-N
Molecular Weight 378.509 g/mol
SMILES OC(\C=C\C(C(C1C2C(C3C2C(C)CC3)([C@@](C1)(O)[H])C)=C)O)(COC(=O)C)C
SPLASH splash10-0540-4920000000-0fd34dbb85272c5d1c04
Source of Spectrum J-46-2239-0
Synonyms (3E)-2,5-dihydroxy-6-[(3R)-3-hydroxy-3a,6-dimethyldecahydrocyclopenta[3,4]cyclobuta[1,2-a]cyclopenten-1-yl]-2-methyl-3,6-heptadienyl acetate
Wiley ID 1358872