1H-3a,8-Ethanodicyclopenta[b,c]pyran, 2-propenoic acid deriv.

SpectraBase Compound ID	9Kgk8PUABbW
InChI	InChI=1S/C28H35BrO4/c1-17(25(31)32-16-23(30)19-5-7-21(29)8-6-19)13-22-14-24-26(3,4)20-10-12-27(33-22)11-9-18(2)28(24,27)15-20/h5-8,13,18,20,22,24H,9-12,14-16H2,1-4H3/b17-13+/t18-,20+,22+,24-,27-,28-/m1/s1
InChIKey	LGTCVMCOAXOGKJ-AQPAMVAVSA-N Google Search
Mol Weight	515.5 g/mol
Molecular Formula	C28H35BrO4
Exact Mass	514.171873 g/mol

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SpectraBase Spectrum ID	10JnYY3nwxA
Name	1H-3a,8-Ethanodicyclopenta[b,c]pyran, 2-propenoic acid deriv.
Alternate Name(s)	2-Propenoic acid, 2-methyl-3-(octahydro-1,7,7-trimethyl-1H-3a,8-ethanodicyclopenta[b,c]pyran-5-yl)-, 2-(4-bromophenyl)-2-oxoethyl ester, [1R-[1.alpha.,3a.alpha.,5.beta.(E),6a.beta.,8.alpha.,9aR*]]- 2-(4-bromophenyl)-2-oxoethyl (2E)-2-methyl-3-[(1R,4R,5R,7S,9R,11R)-4,8,8-trimethyl-12-oxatetracyclo[5.5.2.0(1,5).0(5,9)]tetradec-11-yl]-2-propenoate 4,8,8-Trimethyl-11-(2-methyl-2-(p-bromophenylcarbonylmethoxycarbonyl)-ethenyl)-12-oxa-tetracyclo[5.5.2.0(1,5).0(5,9)]tetradecane
CAS Registry Number	99524-05-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H35BrO4
InChI	InChI=1S/C28H35BrO4/c1-17(25(31)32-16-23(30)19-5-7-21(29)8-6-19)13-22-14-24-26(3,4)20-10-12-27(33-22)11-9-18(2)28(24,27)15-20/h5-8,13,18,20,22,24H,9-12,14-16H2,1-4H3/b17-13+/t18-,20+,22+,24-,27-,28-/m1/s1
InChIKey	LGTCVMCOAXOGKJ-AQPAMVAVSA-N
Molecular Weight	515.488 g/mol
SMILES	[C@@]123[C@@]4(O[C@@](\C=C\(C(OCC(c5ccc(cc5)Br)=O)=O)C)(C[C@@]1(C(C)(C)[C@](C2)(CC4)[H])[H])[H])CC[C@]3(C)[H]
SPLASH	splash10-000i-0902000000-c67ed58414060e89dc70
Source of Spectrum	B-38-1358-14
Wiley ID	1401122