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(3aS*,4R*)-Pentaethyl 3a,4,5,6-tetrahydrobenzo[e]azulene-2,2,4,9,9(1H,3H,8H,10H)-pentacarboxylate

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(3aS*,4R*)-Pentaethyl 3a,4,5,6-tetrahydrobenzo[e]azulene-2,2,4,9,9(1H,3H,8H,10H)-pentacarboxylate
SpectraBase Compound ID Cd92a3m414L
InChI InChI=1S/C29H40O10/c1-6-35-23(30)19-12-11-18-13-14-28(24(31)36-7-2,25(32)37-8-3)15-20(18)22-17-29(16-21(19)22,26(33)38-9-4)27(34)39-10-5/h13,19,21H,6-12,14-17H2,1-5H3/t19-,21+/m1/s1
InChIKey RSJMKWNANMWODQ-CTNGQTDRSA-N
Mol Weight 548.6 g/mol
Molecular Formula C29H40O10
Exact Mass 548.262147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpUxULaZOGE
Name (3aS*,4R*)-Pentaethyl 3a,4,5,6-tetrahydrobenzo[e]azulene-2,2,4,9,9(1H,3H,8H,10H)-pentacarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O10
InChI InChI=1S/C29H40O10/c1-6-35-23(30)19-12-11-18-13-14-28(24(31)36-7-2,25(32)37-8-3)15-20(18)22-17-29(16-21(19)22,26(33)38-9-4)27(34)39-10-5/h13,19,21H,6-12,14-17H2,1-5H3/t19-,21+/m1/s1
InChIKey RSJMKWNANMWODQ-CTNGQTDRSA-N
Literature Reference DOI 10.1021/ol502288x
Molecular Weight 548.629 g/mol
SMILES C1(C(OCC)=O)(CC=C2C(=C3[C@@]([C@](CC2)([H])C(=O)OCC)([H])CC(C(OCC)=O)(C(=O)OCC)C3)C1)C(OCC)=O
SPLASH splash10-0udl-9064410000-3ad76d6d219d80ce0c07
Source of Spectrum A1-16-5008/SMS12-2a
Synonyms (3aS,4R)-pentaethyl 3a,4,5,6-tetrahydrobenzo[e]azulene-2,2,4,9,9(1H,3H,8H,10H)-pentacarboxylate
Wiley ID 1751274