Chemical Properties of Sterigmatocystin (CAS 10048-13-2)

InChI

InChI=1S/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3

InChI Key

UTSVPXMQSFGQTM-UHFFFAOYSA-N

Formula

C18H12O6

SMILES

COc1cc2c(c3oc4cccc(O)c4c(=O)c13)C1C=COC1O2

Molecular Weight¹

324.28

CAS

10048-13-2

Other Names

7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-, (3aR-cis)-
7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one, 3a,12c-dihydro-8-hydroxy-6-methoxy-
NSC 204985
3a,12c-Dihydro-8-hydroxy-6-methoxy-7H-furo(3',2':4,5)furo(2,3-c)xanthen-7-one
8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one
(3aR-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
log₁₀WS	-9.04		Crippen Calculated Property
logP_oct/wat	3.006		Crippen Calculated Property
McVol	211.000	ml/mol	McGowan Calculated Property
I_np	[2999.00; 2999.00]
I_np	2999.00		NIST
I_np	2999.00		NIST

Similar Compounds

Find more compounds similar to Sterigmatocystin.

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