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santamarine

santamarine structure

CAS No:
4290-13-5
Formula:
C15H20O3
Chemical Name:
santamarine
Synonyms:
Balchanin;(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-2-one;(3aS,5aR,6R,9aS,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one;santamarine;SANTAMARIN;(3aS)-2,3,3aβ,4,5,5a,6,7,9aβ,9bα-Decahydro-6α-hydroxy-5aα,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2-one
Categories:
Natural Products > Sesquiterpene

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Description

ChEBI: A sesquiterpene lactone of the eudesmanolide group.

Santamarin is a sesquiterpene lactone of the eudesmanolide group.

santamarine Basic Attributes

Molecular Weight：

248.32

Exact Mass：

248.32

UNII：

15D6KW291H

Color/Form：

White to Off-White

Characteristics

PSA：

46.5

XLogP3：

Density：

1.17±0.1 g/cm3(Predicted)

Melting Point：

142 °C

Boiling Point：

415.6±45.0 °C(Predicted)

PKA：

14.54±0.60(Predicted)

Critical Temperature & Pressure：

-20°C Freezer

Drug Information

MeSH Entry Terms：

santamarin

santamarine Use and Manufacturing

Santamarine is a sesquiterpene lactone shows anticancer properties by inhibiting proliferation and inducing apoptosis.

Computed Properties

Molecular Weight:248.32
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:248.14124450
Monoisotopic Mass:248.14124450
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:451
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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santamarine

CAS No.: 4290-13-5

Content: 99.00%

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Guide of santamarine

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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