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Screening compounds

Penitrem E

Also known as 6-Dechloropenitrem A, Penitrem A, 6-dechloro-

CAS 78213-66-8Formula C37H45NO6Molar mass 599.77 g/mol
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Penitrem E chemical structure, C37H45NO6, CAS 78213-66-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78213-66-8
Formula
C37H45NO6
Molar mass
599.77 g/mol
HS code
293499
Category
Screening compounds

What is Penitrem E?

Plain description, key identifiers and synonyms

Penitrem E is an organic heterotricyclic compound and an organooxygen compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19(30),20,22(29)-tetraene-5,9,28-triol
CAS number
78213-66-8 CAS number cross-checked
Molecular formula
C37H45NO6
InChIKey
LTCFBVUSILPMGG-BRSLXYMHSA-N
InChI
InChI=1S/C37H45NO6/c1-16(2)28-27(39)31-37(44-31)23(42-28)11-12-33(6)34(7)19(10-13-35(33,37)40)29-25-24-21(38-30(25)34)9-8-18-14-17(3)20-15-22(32(4,5)43-29)36(20,41)26(18)24/h8-9,19-20,22-23,27-29,31,38-41H,1,3,10-15H2,2,4-7H3/t19-,20+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
Canonical SMILES
C=C(C)C1OC2CCC3(C)C4(C)c5[nH]c6ccc7c8c6c5C(OC(C)(C)C5CC(C(=C)C7)C85O)C4CCC3(O)C23OC3C1O
Isomeric SMILES
CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C(CC9=C)C=CC(=C71)N6)O)(C)C)C)O)C)O

Synonyms

  • 6-Dechloropenitrem A
  • Penitrem A, 6-dechloro-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
599.77 g/molcalc.
Exact mass
599.3247 Dacalc.
LogP (octanol/water)
5.01calc.
Topological polar surface area
107.5 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
44calc.
Rings
10calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1Cc2ccc3[nH]c4c5c3c2C2C(COC5C3CCC5C(CCC6OCCC7OC675)C43)CC12

C=C1Cc2ccc3[nH]c4c5c3c2C2C(COC5C3CCC5C(CCC6OCCC7OC675)C43)CC12

10 rings, 34 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Penitrem E suppliers

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Penitrem E price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Penitrem E is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Penitrem E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Penitrem E, based on the data on this page

What is Penitrem E?

Penitrem E is an organic heterotricyclic compound and an organooxygen compound.

What is the CAS number of Penitrem E?

The CAS registry number of Penitrem E is 78213-66-8.

What is the molecular formula and weight of Penitrem E?

The molecular formula of Penitrem E is C37H45NO6 and its molar mass is 599.77 g/mol.

What is Penitrem E used for?

Known uses and roles of Penitrem E include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Penitrem E hazardous?

No GHS hazard classification for Penitrem E is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Penitrem E?

Penitrem E is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Penitrem E?

Post a free request on CompoundList and suppliers of Penitrem E will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Penitrem E?

Suppliers quote Penitrem E on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Penitrem E

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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