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2H-1-Benzopyran-2-one, 8-[1,2-bis(benzoyloxy)-3-methylbutyl]-3,4-dihydro-7-methoxy-, [R-(R*,R*)]-
SpectraBase Compound ID L8u2cP0Hbh5
InChI InChI=1S/C29H28O7/c1-18(2)25(35-28(31)20-10-6-4-7-11-20)27(36-29(32)21-12-8-5-9-13-21)24-22(33-3)16-14-19-15-17-23(30)34-26(19)24/h4-14,16,18,25,27H,15,17H2,1-3H3/t25-,27-/m1/s1
InChIKey ONWLPDQKACOIOT-XNMGPUDCSA-N
Mol Weight 488.54 g/mol
Molecular Formula C29H28O7
Exact Mass 488.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXNWwAD2PXd
Name 2H-1-Benzopyran-2-one, 8-[1,2-bis(benzoyloxy)-3-methylbutyl]-3,4-dihydro-7-methoxy-, [R-(R*,R*)]-
CAS Registry Number 131652-29-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H28O7
InChI InChI=1S/C29H28O7/c1-18(2)25(35-28(31)20-10-6-4-7-11-20)27(36-29(32)21-12-8-5-9-13-21)24-22(33-3)16-14-19-15-17-23(30)34-26(19)24/h4-14,16,18,25,27H,15,17H2,1-3H3/t25-,27-/m1/s1
InChIKey ONWLPDQKACOIOT-XNMGPUDCSA-N
Molecular Weight 488.536 g/mol
SMILES c1(c2OC(=O)CCc2ccc1OC)[C@@](OC(=O)c1ccccc1)([C@](OC(=O)c1ccccc1)(C(C)C)[H])[H]
SPLASH splash10-0f6w-0292000000-df48a0dc1f6d0b0a5c6b
Source of Spectrum KC-1990-2053-16
Synonyms (1R,2R)-2-(benzoyloxy)-1-(7-methoxy-2-oxo-3,4-dihydro-2H-chromen-8-yl)-3-methylbutyl benzoate Tetrahydromurrangatin dibenzoate
Wiley ID 1396921