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(7R)-2,8(19),12(20)-6,7,11-tris(Acetoxy)cembratiene-4-ol
SpectraBase Compound ID 7xvQSALQv9C
InChI InChI=1S/C26H40O7/c1-16(2)22-11-9-17(3)23(31-19(5)27)12-10-18(4)25(33-21(7)29)24(32-20(6)28)15-26(8,30)14-13-22/h13-14,16,22-25,30H,3-4,9-12,15H2,1-2,5-8H3/b14-13+/t22?,23?,24?,25-,26?/m1/s1
InChIKey VQJNZNNJDNLUSL-AVCCGGAWSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bJUiQ50DAt
Name (7R)-2,8(19),12(20)-6,7,11-tris(Acetoxy)cembratiene-4-ol
Alternate Name(s) 7R-1-Isopropyl-2-methyl-8,12-bis(methylene)-4-hydroxy-6,7,11-tris(acetoxy)-cyclotetradec-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-16(2)22-11-9-17(3)23(31-19(5)27)12-10-18(4)25(33-21(7)29)24(32-20(6)28)15-26(8,30)14-13-22/h13-14,16,22-25,30H,3-4,9-12,15H2,1-2,5-8H3/b14-13+/t22?,23?,24?,25-,26?/m1/s1
InChIKey VQJNZNNJDNLUSL-AVCCGGAWSA-N
Molecular Weight 464.599 g/mol
SMILES OC1(CC([C@@](C(CCC(C(CCC(\C=C\1)C(C)C)=C)OC(=O)C)=C)(OC(=O)C)[H])OC(=O)C)C
SPLASH splash10-0006-9300000000-673adad63e9bdf01a1f7
Source of Spectrum SB-44-821-8
Wiley ID 744760