Ailanthone

(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

CAS: 981-15-7

Molecular Formula	`C20H24O7`
Molecular Weight	376.4 g/mol
LogP	-1.1
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	0
Exact Mass	376.1522
Heavy Atoms	27
Complexity	817.0

Chemical Identifiers

CAS Number	981-15-7
SMILES	`CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)C)O`
InChIKey	`WBBVXGHSWZIJST-RLQYZCPESA-N`

📖 Product Overview

Ailanthone (CAS: 981-15-7) is a chemical compound with molecular formula C20H24O7 and molecular weight 376.4 g/mol. Its IUPAC systematic name is (1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione. LogP -1.1 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 7 Rotatable Bonds 0 Exact Mass 376.1522 Heavy Atoms 27 Complexity 817.0 InChI Key: WBBVXGHSWZIJST-RLQYZCPESA-N. SMILES: CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4CC(=O)O3)O)(OC5)O)C)O.

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