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Sclareol

Sclareol structure

CAS No:
515-03-7
Formula:
C20H36O2
Chemical Name:
Sclareol
Synonyms:
1-Naphthalenepropanol,α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-,(αR,1R,2R,4aS,8aS)-;Sclareol;Labd-14-ene-8,13-diol,(13R)-;1-Naphthalenepropanol,α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-,[1R-[1α(R*),2β,4aβ,8aα]]-;(αR,1R,2R,4aS,8aS)-α-Ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-1-naphthalenepropanol;(-)-Sclareol;17904-64-2;886030-32-6
Categories:
Cosmetic Ingredient > Perfuming

Description

Sclareol is isolated from Salvia sclarea with anticarcinogenic activity. Sclareol shows strong cytotoxic activity against mouse leukemia (P-388), human epidermal carcinoma (KB) cells and human leukemia cell lines. Sclareol induces cell apoptosis[1].

Solid; Bitter herbaceous hay-like aroma

Sclareol is a labdane diterpenoid that is labd-14-ene substituted by hydroxy groups at positions 8 and 13. It has been isolated from Salvia sclarea. It has a role as an antimicrobial agent, an apoptosis inducer, a fragrance, an antifungal agent and a plant metabolite.

Sclareol Basic Attributes

Molecular Weight：

308.5

Exact Mass：

308.50

EC Number：

208-194-0

UNII：

B607NP0Q8Y

DSSTox ID：

DTXSID0047111

HScode：

29061990

Characteristics

PSA：

40.5

XLogP3：

4.69720

Appearance：

Solid; Bitter herbaceous hay-like aroma

Density：

1.0±0.1 g/cm3

Melting Point：

104-105 °C

Boiling Point：

182 °C @ Press: 1.15 Torr

Flash Point：

169.1±15.0 °C

Refractive Index：

1.490

Water Solubility：

Practically insoluble or insoluble in water

Specific rotation：

-13 º (c=4, in carbon tetrachloride)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

QK0301900

Drug Information

MeSH Entry Terms：

labd-14-ene-8alpha, 13beta-diol

Sclareol Use and Manufacturing

Uses

antineoplastic, apoptosis inducer

Manufacturing Info：

1-Naphthalenepropanol, .alpha.-ethenyldecahydro-2-hydroxy-.alpha.,2,5,5,8a-pentamethyl-, (.alpha.R,1R,2R,4aS,8aS)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C20 isoprenoids (diterpenes) [PR0104]

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:308.5
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:308.271530387
Monoisotopic Mass:308.271530387
Topological Polar Surface Area:40.5
Heavy Atom Count:22
Complexity:429
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

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Guide of Sclareol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Price Analysis
Recommended Suppliers
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