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Tulearin C

View entire compound with spectra: 1 MS (GC)

Tulearin C
SpectraBase Compound ID GZCuT5gAS8d
InChI InChI=1S/C30H52O5/c1-6-7-8-9-11-14-22(2)19-26-20-23(3)15-12-10-13-16-27(31)28(32)18-17-24(4)21-29(33)25(5)30(34)35-26/h10-12,14,19,23-29,31-33H,6-9,13,15-18,20-21H2,1-5H3/b12-10+,14-11+,22-19+/t23-,24+,25-,26-,27+,28+,29-/m1/s1
InChIKey VXDINLPYCDGQAD-YPLUWHBUSA-N
Mol Weight 492.7 g/mol
Molecular Formula C30H52O5
Exact Mass 492.381475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OrscsT0qMl
Name Tulearin C
Alternate Name(s) (3R,4R,6S,9S,10S,16R,18S,E)-4,9,10-trihydroxy-3,6,16-trimethyl-18-((1E,3E)-2-methylnona-1,3-dien-1-yl)oxacyclooctadec-13-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O5
InChI InChI=1S/C30H52O5/c1-6-7-8-9-11-14-22(2)19-26-20-23(3)15-12-10-13-16-27(31)28(32)18-17-24(4)21-29(33)25(5)30(34)35-26/h10-12,14,19,23-29,31-33H,6-9,13,15-18,20-21H2,1-5H3/b12-10+,14-11+,22-19+/t23-,24+,25-,26-,27+,28+,29-/m1/s1
InChIKey VXDINLPYCDGQAD-YPLUWHBUSA-N
Literature Reference DOI 10.1002/anie.201106117
Molecular Weight 492.741 g/mol
SMILES O[C@@]1([C@](CC\C=C\C[C@](C[C@](OC([C@@]([C@@](C[C@](CC1)(C)[H])(O)[H])(C)[H])=O)(\C=C\(\C=C\CCCCC)C)[H])(C)[H])(O)[H])[H]
SPLASH splash10-0006-9600100000-ed489111be4137917c7b
Source of Spectrum ACI-50-SMS18-4
Wiley ID 1780161