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(-)-1,9-Dideoxyforskolin

(-)-1,9-Dideoxyforskolin structure

CAS No:
64657-18-7
Formula:
C22H34O5
Chemical Name:
(-)-1,9-Dideoxyforskolin
Synonyms:
1H-Naphtho[2,1-b]pyran-1-one,5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-,(3R,4aS,5S,6S,6aS,10aS,10bR)-;1H-Naphtho[2,1-b]pyran-1-one,5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-,[3R-(3α,4aβ,5β,6β,6aα,10aβ,10bα)]-;(3R,4aS,5S,6S,6aS,10aS,10bR)-5-(Acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one;1,9-Dideoxyforskolin;(-)-1,9-Dideoxyforskolin
Categories:
Analytical Chemistry > Standard

Description

ChEBI: A labdane diterpenoid that is the 1,9-dideoxy derivative of forskolin.

1,9-dideoxyforskolin is a labdane diterpenoid that is the 1,9-dideoxy derivative of forskolin. It has a role as a plant metabolite. It is a labdane diterpenoid, an acetate ester and an organic heterotricyclic compound. It derives from a forskolin.

(-)-1,9-Dideoxyforskolin Basic Attributes

Molecular Weight：

378.5

Exact Mass：

378.24100

UNII：

OAW710HWIX

DSSTox ID：

DTXSID5040384

Characteristics

PSA：

72.83000

XLogP3：

3.43420

Appearance：

white solid

Density：

1.12 g/cm3

Melting Point：

158 °C

Boiling Point：

455ºC at 760 mmHg

Flash Point：

146.9ºC

Refractive Index：

1.523

Water Solubility：

methanol: 28 mg/mL

Storage Conditions：

−20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P280, P302+P352, P312, P322, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,9-dideoxyforskolin

(-)-1,9-Dideoxyforskolin Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Computed Properties

Molecular Weight:378.5
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:378.24062418
Monoisotopic Mass:378.24062418
Topological Polar Surface Area:72.8
Heavy Atom Count:27
Complexity:670
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes