Structure

Eurycomanone

CAS
84633-29-4
Catalog Number
ACM84633294
Category
Other Products
Molecular Weight
408.4
Molecular Formula
C20H24O9

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Specification

Synonyms
EURYCOMANONE;11,2o-epoxy-1,11,12,14,15-pentahydroxy-13(21)-diene-(1-picrasa-16-dione;11-beta,12-alpha,15-beta)-betdihydrate;pasakbumin-a;11β,20-Epoxy-1β,11,12α,14,15β-pentahydroxypicrasa-3,13(21)-diene-2,16-dione;NSC 339187
Canonical SMILES
CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4(C(C(=O)O3)O)O)O)(OC5)O)C)O
InChI
InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3
InChI Key
UCUWZJWAQQRCOR-UHFFFAOYSA-N
Melting Point
273-285°C (methanolethyl ether )
Appearance
White powder
What is the molecular formula of Eurycomanone?

The molecular formula of Eurycomanone is C20H24O9.

When was Eurycomanone created in the LOTUS database?

Eurycomanone was created in the LOTUS database on February 8, 2007.

What is the molecular weight of Eurycomanone?

The molecular weight of Eurycomanone is 408.4 g/mol.

What is the IUPAC name of Eurycomanone?

The IUPAC name of Eurycomanone is (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.0 1,7 .0 4,19 .0 13,18 ]nonadec-14-ene-9,16-dione.

What is the InChI key of Eurycomanone?

The InChI key of Eurycomanone is UCUWZJWAQQRCOR-OKNZMGBLSA-N.

What is the Canonical SMILES of Eurycomanone?

The Canonical SMILES of Eurycomanone is CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4(C(C(=O)O3)O)O)O)(OC5)O)C)O.

How many hydrogen bond donor counts does Eurycomanone have?

Eurycomanone has 5 hydrogen bond donor counts.

What is the XLogP3-AA value of Eurycomanone?

The XLogP3-AA value of Eurycomanone is -2.8.

What is the topological polar surface area of Eurycomanone?

The topological polar surface area of Eurycomanone is 154Ų.

How many defined atom stereocenter counts does Eurycomanone have?

Eurycomanone has 10 defined atom stereocenter counts.

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