Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester, trans-(.+-.)-

SpectraBase Compound ID	AgPIsVrvzI2
InChI	InChI=1S/C21H22O7/c1-24-17-7-12(8-18(25-2)20(17)22)19-13(21(23)26-3)5-4-11-6-15-16(9-14(11)19)28-10-27-15/h6-9,13,19,22H,4-5,10H2,1-3H3/t13-,19+/m0/s1
InChIKey	PHZKXPSWZQDBEC-ORAYPTAESA-N Google Search
Mol Weight	386.4 g/mol
Molecular Formula	C21H22O7
Exact Mass	386.136553 g/mol

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SpectraBase Spectrum ID	KPXZin6ngqa
Name	Naphtho[2,3-d]-1,3-dioxole-6-carboxylic acid, 5,6,7,8-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester, trans-(.+-.)-
Alternate Name(s)	Methyl (5S,6S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate rac-methyl (8'.alpha)-4'-hydroxy-3',5'-dimethoxy-4,5-methylenedioxy-2,7'-cyclo-9-norlignan-9'-oate (5S,6S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester Methyl (5S,6S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate Methyl (5S,6S)-5-(4-hydroxy-3,5-dimethoxy-phenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate Methyl (5S,6S)-5-(3,5-dimethoxy-4-oxidanyl-phenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate
CAS Registry Number	119030-82-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22O7
InChI	InChI=1S/C21H22O7/c1-24-17-7-12(8-18(25-2)20(17)22)19-13(21(23)26-3)5-4-11-6-15-16(9-14(11)19)28-10-27-15/h6-9,13,19,22H,4-5,10H2,1-3H3/t13-,19+/m0/s1
InChIKey	PHZKXPSWZQDBEC-ORAYPTAESA-N
Molecular Weight	386.400 g/mol
SMILES	Oc1c(cc([C@]2(c3c(cc4c(c3)OCO4)CC[C@@]2(C(=O)OC)[H])[H])cc1OC)OC
SPLASH	splash10-002r-0889000000-5d63bc20d450b7e05d95
Source of Spectrum	B-41-928-12
Wiley ID	1362595