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Naphtho[2,3-d]-1,3-dioxole, 5,6,7,8-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-, [5R-(5.alpha.,6.alpha.,7.beta.)]-

View entire compound with spectra: 1 MS (GC)

Naphtho[2,3-d]-1,3-dioxole, 5,6,7,8-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-, [5R-(5.alpha.,6.alpha.,7.beta.)]-
SpectraBase Compound ID GsOvNk8QdnK
InChI InChI=1S/C21H22O5/c1-11-4-13-5-16-17(24-9-23-16)8-15(13)20(12(11)2)14-6-18(22-3)21-19(7-14)25-10-26-21/h5-8,11-12,20H,4,9-10H2,1-3H3/t11-,12+,20-/m1/s1
InChIKey WMPUHRROBOWDAU-XAAFQQQXSA-N
Mol Weight 354.4 g/mol
Molecular Formula C21H22O5
Exact Mass 354.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LD5MWruu0xn
Name Naphtho[2,3-d]-1,3-dioxole, 5,6,7,8-tetrahydro-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-, [5R-(5.alpha.,6.alpha.,7.beta.)]-
Alternate Name(s) (5R,6S,7R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole 6-[(5R,6S,7R)-6,7-dimethyl-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxol-5-yl]-1,3-benzodioxol-4-yl methyl ether Austrobailegnan-3 Austrobailignan-3
CAS Registry Number 55890-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O5
InChI InChI=1S/C21H22O5/c1-11-4-13-5-16-17(24-9-23-16)8-15(13)20(12(11)2)14-6-18(22-3)21-19(7-14)25-10-26-21/h5-8,11-12,20H,4,9-10H2,1-3H3/t11-,12+,20-/m1/s1
InChIKey WMPUHRROBOWDAU-XAAFQQQXSA-N
Molecular Weight 354.402 g/mol
SMILES c12[C@@](c3cc4OCOc4c(c3)OC)([C@@](C)([C@@](Cc2cc2c(c1)OCO2)(C)[H])[H])[H]
SPLASH splash10-0gba-0194000000-e8b30a1a47912f430b34
Source of Spectrum B-28-88-0
Wiley ID 1344677