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Spathulenol

Spathulenol structure

CAS No:
6750-60-3
Formula:
C15H24O
Chemical Name:
Spathulenol
Synonyms:
1H-Cycloprop[e]azulen-7-ol,decahydro-1,1,7-trimethyl-4-methylene-,(1aR,4aR,7S,7aR,7bR)-;1H-Cycloprop[e]azulen-7-ol,decahydro-1,1,7-trimethyl-4-methylene-,[1aR-(1aα,4aα,7β,7aβ,7bα)]-;Spathulenol;1H-Cycloprop[e]azulen-7-ol,decahydro-1,1,7-trimethyl-4-methylene-;(1aR,4aR,7S,7aR,7bR)-Decahydro-1,1,7-trimethyl-4-methylene-1H-cycloprop[e]azulen-7-ol;Espatulenol;(+)-Spathulenol;spainulenol;Sibachun;(1AR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol
Categories:
Natural Products > Sesquiterpene

Description

Spathulenol is isolated from Psidium guineense Sw, and has antioxidant, anti-inflammatory, antiproliferative and antimycobacterial activities. Spathulenol shows a high antioxidant activity with an IC50 of 85.60 μg/mL in the DPPH system[1].

Spathulenol is a tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. It has a role as a volatile oil component, a plant metabolite, an anaesthetic and a vasodilator agent. It is a sesquiterpenoid, a carbotricyclic compound, a tertiary alcohol and an olefinic compound.

Spathulenol Basic Attributes

Molecular Weight：

220.35046

Exact Mass：

220.35

UNII：

7XV9L96SJJ

Characteristics

PSA：

20.23000

XLogP3：

4.45

Density：

1.0±0.1 g/cm3

Boiling Point：

284.7 °C

Flash Point：

123.9±13.7 °C

Refractive Index：

1.528

Water Solubility：

12.44 mg/L @ 25 °C (est)

Drug Information

MeSH Entry Terms：

spathulenol

Computed Properties

Molecular Weight:220.35
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:220.182715385
Monoisotopic Mass:220.182715385
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:343
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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spathulenol

CAS No.: 6750-60-3

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Guide of Spathulenol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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