 Home > Encyclopedia > 3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione

3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione

3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione structure

CAS No:
74051-00-6
Formula:
C20H28O7
Chemical Name:
3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione
Synonyms:
MLS002694121;SMR001560052;74051-00-6;1,2,12,20-tetrahydroxypicras-3-ene-11,16-dione;BRN 1356213;NCIOpen2_008674;cid_122723;CHEMBL1711982;BDBM95662;DTXSID60995468;HMS3088D22;NSC79404;NSC-79404;1-Phenanthreneacetic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-3,5,6,10-tetrahydroxy-10a-(hydroxymethyl)-2,4b,8-trimethyl-4-oxo-, 10-(alpha-lactone)

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3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione Basic Attributes

Molecular Weight：

380.4 g/mol

Exact Mass：

380.18350323 g/mol

NSC Number：

79404

Characteristics

PSA：

124 Å²

XLogP3：

-0.1994

Melting Point：

306 - 308 °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intravenous	Rodent - mouse	56 mg/kg	Details of toxic effects not reported other than lethal dose value--	U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02344

Computed Properties

Molecular Weight:380.4
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:380.18350323
Monoisotopic Mass:380.18350323
Topological Polar Surface Area:124
Heavy Atom Count:27
Complexity:717
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,15-trihydroxy-17-(hydroxymethyl)-2,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-11,16-dione

Basic Attributes
Characteristics
Toxicity
Computed Properties

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