(1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione

Basic Information

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CAS Number

21416-53-5

Molecular Formula

C15H18O7

Molecular Weight

310.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

256-258°C

Boiling Point

595.8°C at 760 mmHg

Flash Point

228.9°C

Refractive Index

1.637

Specific Rotation

D -64.7° (c = 2.31 in abs alc)

SMILES

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CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

InChI

InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1

InChIKey

RYEFFICCPKWYML-QCGISDTRSA-N

LogP

-0.8672

Topological Polar Surface Area

105.59000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

644

Safety Information

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Toxicity

LD50 i.p. in mice: 135 mg/kg (Jarboe)

Synonyms & References

English

CHEBI:8205
KBio1_000756
picrotin
U06Z6QD7N2
Spectrum4_001781
AI3-41570
NSC 129536
UNII-U06Z6QD7N2
NCGC00017246-02
KBio3_001105
DSSTox_GSID_45605
Pikrotin
Spectrum_000413
KBioSS_000893
(5S,8S,12S,14S,1R,3R,9R,13R)-1-hydroxy-14-(1-hydroxy-isopropyl)-13-methyl-4,7, 10-trioxapentacyclo[6.4.1.1<9,12>.0<3,5>.0<5,13>]tetradecane-6,11-dione
NINDS_000756
HMS502F18
SMP1_000239
Q-100267
MFCD00868514
Q27088386
SPECTRUM100346
21416-53-5
NCGC00142523-04
Picrotin (VAN)
PICROTIN [MI]
BRN 5302552
(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione
Spectrum2_000279
Spectrum3_000073
SPBio_000158

MDL Number

MFCD00868514

FAQ

What is (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5)?

(1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5) is a cyclic ketone with a complex skeleton. It has hydroxyl and methyl groups, and is known for its distinctive molecular structure. This compound is primarily used in pharmaceutical and chemical research for its unique chemical properties.

What are the main uses of (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5)?

The main uses of (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5) include applications in pharmaceutical research, as a reagent in organic synthesis, and as a component in various chemical reactions for producing other compounds.

Is (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5) safe?

The safety of (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5) depends on the specific application. When handled correctly, it is generally safe. However, it is important to follow precautions such as wearing appropriate personal protective equipment and maintaining proper ventilation.

How should (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5) be stored?

To store (1R,3R,5S,8S,9R,12S,13R,14S)-1-Hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione (CAS: 21416-53-5), it should be kept in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to minimize exposure to air and moisture. It is important to store it in a well-ventilated area and ensure proper labeling for safety.