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Screening compounds

Myrtucommulone E

Also known as (8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone

CAS 901765-85-3Formula C38H48O8Molar mass 632.79 g/mol
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Myrtucommulone E chemical structure, C38H48O8, CAS 901765-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
901765-85-3
Formula
C38H48O8
Molar mass
632.79 g/mol
HS code
293299
Category
Screening compounds

What is Myrtucommulone E?

Plain description, key identifiers and synonyms

(8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone has been reported in Myrtus communis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone
CAS number
901765-85-3
Molecular formula
C38H48O8
InChIKey
JQOOCQQOCBSNIP-RTBURBONSA-N
InChI
InChI=1S/C38H48O8/c1-15(2)18-20-26(40)24(25(39)17(5)6)28-21(27(20)45-31-22(18)29(41)35(7,8)33(43)37(31,11)12)19(16(3)4)23-30(42)36(9,10)34(44)38(13,14)32(23)46-28/h15-19,40H,1-14H3/t18-,19-/m1/s1
Canonical SMILES
CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)C2C(C)C
Isomeric SMILES
CC(C)[C@@H]1C2=C(C(=C3C(=C2OC4=C1C(=O)C(C(=O)C4(C)C)(C)C)[C@H](C5=C(O3)C(C(=O)C(C5=O)(C)C)(C)C)C(C)C)C(=O)C(C)C)O

Synonyms

  • (8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone

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
632.79 g/molcalc.
Exact mass
632.3349 Dacalc.
LogP (octanol/water)
7.41calc.
Topological polar surface area
124 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
46calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
2calc.
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, O=C1CC(=O)C2=C(C1)Oc1ccc3c(c1C2)OC1=C(C3)C(=O)CC(=O)C1

O=C1CC(=O)C2=C(C1)Oc1ccc3c(c1C2)OC1=C(C3)C(=O)CC(=O)C1

5 rings, 26 atoms.

No other chemical in our database has 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.

Myrtucommulone E suppliers

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Myrtucommulone 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 Myrtucommulone E is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Myrtucommulone E?

(8R,14R)-7-hydroxy-2,2,4,4,10,10,12,12-octamethyl-6-(2-methylpropanoyl)-8,14-di(propan-2-yl)-8,14-dihydrochromeno[2,3-a]xanthene-1,3,9,11-tetrone has been reported in Myrtus communis.

What is the CAS number of Myrtucommulone E?

The CAS registry number of Myrtucommulone E is 901765-85-3.

What is the molecular formula and weight of Myrtucommulone E?

The molecular formula of Myrtucommulone E is C38H48O8 and its molar mass is 632.79 g/mol.

What is Myrtucommulone E used for?

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

Is Myrtucommulone E hazardous?

No GHS hazard classification for Myrtucommulone 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 Myrtucommulone E?

Myrtucommulone E is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Myrtucommulone E?

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

What is the price of Myrtucommulone E?

Suppliers quote Myrtucommulone 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 Myrtucommulone 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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