(7S,8R)-3',4',6,8-Tetrahydro-6'-methoxy-2'-methyl-2'H-spiro[indeno[4,5-d] [1,3]dioxole-7,1'-isoquinoline]-7',8-diol

SpectraBase Compound ID	8sKZmVOYAvG
InChI	InChI=1S/C20H21NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3/t19-,20+/m1/s1
InChIKey	YUIGSRGRYOBFRF-UXHICEINSA-N Google Search
Mol Weight	355.39 g/mol
Molecular Formula	C20H21NO5
Exact Mass	355.141973 g/mol

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SpectraBase Spectrum ID	IZ3seBVxalw
Name	Spiro[7H-indeno[4,5-D]-1,3-dioxole-7,1'(2'H)-isoquinoline]-7',8-diol, 3',4',6,8-tetrahydro-6'-methoxy-2'-methyl-, (7S-trans)-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	355.141972775 u
Formula	C20H21NO5
InChI	InChI=1S/C20H21NO5/c1-21-6-5-11-7-16(24-2)14(22)8-13(11)20(21)9-12-3-4-15-18(26-10-25-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3/t19-,20+/m1/s1
InChIKey	YUIGSRGRYOBFRF-UXHICEINSA-N
Molecular Weight	355.390 g/mol
SMILES	C12=C(C=CC3=C2OCO3)C[C@@]2([C@@]1(O)[H])C1=C(CCN2C)C=C(C(=C1)O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.834902