 Home > Encyclopedia > (3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione

(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione

(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione structure

CAS No:
14804-47-8
Formula:
C15H22O3
Chemical Name:
(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
Synonyms:
Naphtho[1,2-b]furan-2,8(3H,4H)-dione,octahydro-3,5a,9-trimethyl-,(3R,3aS,5aS,9R,9aS,9bS)-;4αH-Eudesman-12-oic acid,6α-hydroxy-3-oxo-,γ-lactone,(11R)-;Naphtho[1,2-b]furan-2,8(3H,4H)-dione,octahydro-3,5a,9-trimethyl-,[3R-(3α,3aβ,5aα,9α,9aβ,9bα)]-;(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione;β-Santonin,γ-tetrahydro-;γ-Tetrahydro-β-santonin;Cadabicilone

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Description

Solid

Cadabicilone is a sesquiterpene lactone.

(3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione Basic Attributes

Molecular Weight：

250.33 g/mol

Exact Mass：

250.33

NSC Number：

293814|293813

Characteristics

PSA：

43.4 Å²

Melting Point：

118-120 °C

Water Solubility：

902.3 mg/L @ 25 °C (est)

Computed Properties

Molecular Weight:250.33
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Exact Mass:250.15689456
Monoisotopic Mass:250.15689456
Topological Polar Surface Area:43.4
Heavy Atom Count:18
Complexity:403
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: p xylene; dimethyl terepthalate; acetic acid formula; baoh2; drospirenone ethinyl estradiol; smz/tmp

Guide of (3R,3aS,5aS,9R,9aS,9bS)-Octahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione

Description
Basic Attributes
Characteristics
Computed Properties

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