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Key Documents

SMB00566

Sigma-Aldrich

Thielavin B

≥95% (LC/MS-UV)

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About This Item

Empirical Formula (Hill Notation):
C31H34O10
CAS Number:
71950-67-9
Molecular Weight:
566.60
MDL number:
MFCD11111623
UNSPSC Code:
12352205
PubChem Substance ID:
329824713
NACRES:
NA.25

Assay

≥95% (LC/MS-UV)

form

solid

solubility

DMSO: 1 mg/mL

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

storage temp.

−20°C

SMILES string

O=C(C1=C(OC)C(C)=C(OC(C2=C(O)C(C)=C(O)C=C2C)=O)C(C)=C1C)OC3=C(C)C(C)=C(C(O)=O)C(OC)=C3C

InChI

1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)

InChI key

UULGWGARYDGVBM-UHFFFAOYSA-N

Related Categories

General description

Natural product derived from fungal source.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
122228277V
AD122228277V

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Sloan Ayers et al.
Tetrahedron letters, 52(44), 5733-5735 (2012-05-09)
As part of our ongoing investigation of filamentous fungi for anticancer leads, an active fungal extract was identified from the Mycosynthetix library (MSX 55526; from the Order Sordariales). Bioactivity-directed fractionation yielded the known ergosterol peroxide (2) and 5α,8α-epidioxyergosta-6,9(11),22-trien-3β-ol(3), and a
Inhibition of indoleamine 2,3-dioxygenase by thielavin derivatives from a soil fungus, Coniochaeta sp. 10F058.
Jun-Pil Jang et al.
The Journal of antibiotics, 67(4), 331-333 (2013-12-12)

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