[(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone

CAS

95733-02-1

Catalog Number

ACM95733021

Category

Other Products

Molecular Weight

542.49 g/mol

Molecular Formula

C₃₀H₂₂O₁₀

MSDS COA Spec Sheet

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Specification

Synonyms

Daphnodorin B, Furobenzopyran deriv., AIDS006416, AIDS-006416, CID72427, NSC698798, 95733-02-1, [3,4-Dihydro-3,5-dihydro-2,8-bis(4-hydroxyphenyl)-2H-furo[2,3-h]benzopyran-9-yl](2,4,5-trihydroxyphenyl)methanone, trans-(-), Methanone, (3,4-dihydro-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-2H-furo(2,3-h)-l-benzopyran-9-yl)(2,4,6-trihydroxyphenyl)-, trans-(-)-

IUPAC Name

[(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone

Canonical SMILES

C1C(C(OC2=C3C(=CC(=C21)O)OC(=C3C(=O)C4=C(C=C(C=C4O)O)O)C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O

InChI Key

JBNFGJOTOPTIDE-RBISFHTESA-N

Exact Mass

542.12100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of [(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone?

The molecular formula is C30H22O10.

What is the molecular weight of [(2R,3S)-3,5-Dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone?

The molecular weight is 542.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is [(2R,3S)-3,5-dihydroxy-2,8-bis(4-hydroxyphenyl)-3,4-dihydro-2H-furo[2,3-h]chromen-9-yl]-(2,4,6-trihydroxyphenyl)methanone.

What is the InChI of the compound?

The InChI is InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-23-25(30(18)40-28)26(29(39-23)14-3-7-16(32)8-4-14)27(38)24-20(35)9-17(33)10-21(24)36/h1-10,12,22,28,31-37H,11H2/t22-,28+/m0/s1.

What is the CAS number of the compound?

The CAS number is 95733-02-1.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL2273052.

How many hydrogen bond donor counts does the compound have?

The compound has 7 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 10 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the complexity of the compound?

The complexity of the compound is 874.