CAS No.: 479195-44-3 — Loureiriol (-)

1. Primary Information

English name:	Loureiriol
CAS No.:	479195-44-3
Molecular formula:	C₁₆H₁₄O₆
Molecular weight:	302.28 g/mol
SMILES:	C1C(C(=O)C2=C(C=C(C=C2O1)O)O)(CC3=CC=C(C=C3)O)O
Structural class:
Other identifiers:	loureiriol

2. Suppliers & Pricing

Supplier

Pack size

Purity

Price (CNY)

Storage conditions

Lead time

Notes

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 36 38 0 1 0 0 0 0 0999 V2000 0.6002 -1.2646 0.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9831 2.0228 1.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3929 2.6880 0.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 2.0701 -0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0374 -2.5096 -0.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 -1.1820 0.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 1.0051 0.4742 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0061 0.6902 -0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 -0.2079 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.5048 0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1711 0.4631 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 0.1911 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 -0.8630 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4635 0.7952 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 -1.8635 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6254 -1.1703 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 1.0986 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 -0.2073 -0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 -1.5342 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -1.6328 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7464 0.6360 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9814 -0.7298 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4551 -0.0419 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 1.5913 -1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 0.0759 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -0.6019 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0758 2.7870 0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5492 -2.8968 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -1.8868 -0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2814 2.1644 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4353 0.0338 -0.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0979 -2.6982 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 1.3498 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7692 2.0813 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6394 -3.3657 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 -0.4226 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 19 1 0 0 0 0 5 35 1 0 0 0 0 6 22 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(3R)-3,5,7-trihydroxy-3-[(4-hydroxyphenyl)methyl]-2H-chromen-4-one

4.2 InChI

InChI=1S/C16H14O6/c17-10-3-1-9(2-4-10)7-16(21)8-22-13-6-11(18)5-12(19)14(13)15(16)20/h1-6,17-19,21H,7-8H2/t16-/m1/s1

4.3 InChIKey

CKOAWBPJSODKQL-MRXNPFEDSA-N

4.4 Canonical SMILES

C1C(C(=O)C2=C(C=C(C=C2O1)O)O)(CC3=CC=C(C=C3)O)O

4.5 Isomeric SMILES

C1[C@@](C(=O)C2=C(C=C(C=C2O1)O)O)(CC3=CC=C(C=C3)O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

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5.2 ¹H nuclear magnetic resonance (¹H NMR)

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5.3 Mass spectrometry (MS)

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5.4 Infrared spectroscopy (IR)

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5.5 Ultraviolet/visible spectroscopy (UV/Vis)

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1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)