4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.

SpectraBase Compound ID	7eRA0Tn5Usx
InChI	InChI=1S/C21H23ClO7/c1-9-15(24)20-8-19(9,22)6-4-11(20)21-7-5-12(28-10(2)23)18(3,17(27)29-21)14(21)13(20)16(25)26/h5,7,9,11-14H,4,6,8H2,1-3H3,(H,25,26)/t9?,11?,12-,13+,14?,18+,19?,20?,21+/m1/s1
InChIKey	YWRYJUIKJDDTBK-QXJGPRBOSA-N Google Search
Mol Weight	422.86 g/mol
Molecular Formula	C21H23ClO7
Exact Mass	422.113231 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	GcurR3v9Nf4
Name	4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene, gibb-3-ene-1,10-dicarboxylic acid deriv.
Alternate Name(s)	Gibb-3-ene-1,10-dicarboxylic acid, 2-(acetyloxy)-7-chloro-1,8-dimethyl-9-oxo-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta., 8.beta.,10.beta.)- (1S,9R,12R)-12-(acetyloxy)-5-chloro-6,11-dimethyl-7,16-dioxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylic acid ent-3.alpha.-acetoxy-13-chloro-10.beta.-hydroxy-15-oxo-20-norgibberell-1-ene-7,19-dioic acid 19,10-lactone
CAS Registry Number	105608-21-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H23ClO7
InChI	InChI=1S/C21H23ClO7/c1-9-15(24)20-8-19(9,22)6-4-11(20)21-7-5-12(28-10(2)23)18(3,17(27)29-21)14(21)13(20)16(25)26/h5,7,9,11-14H,4,6,8H2,1-3H3,(H,25,26)/t9?,11?,12-,13+,14?,18+,19?,20?,21+/m1/s1
InChIKey	YWRYJUIKJDDTBK-QXJGPRBOSA-N
Molecular Weight	422.861 g/mol
SMILES	OC([C@@]1(C2[C@@]3(C)C(O[C@]2(C2C11C(C(C)C(CC2)(Cl)C1)=O)C=C[C@]3(OC(=O)C)[H])=O)[H])=O
SPLASH	splash10-0zmi-0091000000-cae93b415976fce18ae5
Source of Spectrum	KC-1985-2745-38
Wiley ID	1378512