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Screening compounds

Janthitrem E

CAS 90986-50-8Formula C37H49NO6Molar mass 603.80 g/mol
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Janthitrem E chemical structure, C37H49NO6, CAS 90986-50-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
90986-50-8
Formula
C37H49NO6
Molar mass
603.80 g/mol
HS code
293499
Category
Screening compounds

What is Janthitrem E?

Plain description, key identifiers and synonyms

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

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,6S,8S,9R,12S,15S,21S,22R)-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol
CAS number
90986-50-8 CAS number cross-checked
Molecular formula
C37H49NO6
InChIKey
TVRIMSLYKUNOPS-KYCQQYQOSA-N
InChI
InChI=1S/C37H49NO6/c1-32(2)17-23-19-15-25-20(14-21(19)29(40)28(23)34(5,6)44-32)22-13-18-9-12-37(42)24-16-26(39)31(33(3,4)41)43-27(24)10-11-35(37,7)36(18,8)30(22)38-25/h14-18,26-29,31,38-42H,9-13H2,1-8H3/t18-,26+,27-,28+,29+,31-,35+,36+,37+/m0/s1
Canonical SMILES
CC1(C)C=C2c3cc4[nH]c5c(c4cc3C(O)C2C(C)(C)O1)CC1CCC2(O)C3=CC(O)C(C(C)(C)O)OC3CCC2(C)C51C
Isomeric SMILES
C[C@]12CC[C@H]3C(=C[C@H]([C@H](O3)C(C)(C)O)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=CC7=C(C=C6N5)C8=CC(OC([C@H]8[C@@H]7O)(C)C)(C)C)C)O

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
603.80 g/molcalc.
Exact mass
603.356 Dacalc.
LogP (octanol/water)
5.38calc.
Topological polar surface area
115.2 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
44calc.
Rings
8calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
9calc.
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, C1=C2c3cc4[nH]c5c(c4cc3CC2COC1)CC1CCC2C3=CCCOC3CCC2C51

C1=C2c3cc4[nH]c5c(c4cc3CC2COC1)CC1CCC2C3=CCCOC3CCC2C51

8 rings, 31 atoms.

4 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.

Janthitrem E suppliers

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Janthitrem E price

Indicative price range per kg from live supplier offers

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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 Janthitrem 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 Janthitrem E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Janthitrem E?

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

What is the CAS number of Janthitrem E?

The CAS registry number of Janthitrem E is 90986-50-8.

What is the molecular formula and weight of Janthitrem E?

The molecular formula of Janthitrem E is C37H49NO6 and its molar mass is 603.80 g/mol.

What is Janthitrem E used for?

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

Is Janthitrem E hazardous?

No GHS hazard classification for Janthitrem 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 Janthitrem E?

Janthitrem 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 Janthitrem E?

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

What is the price of Janthitrem E?

Suppliers quote Janthitrem 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 Janthitrem 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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