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Flavonoids and polyphenols

Rubranine

Also known as (E)-1-((1R,4S,13S)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo(9.3.1.04,13.07,12)pentadeca-7,9,11-trien-8-yl)-3-phenylprop-2-en-1-one, (E)-1-[(1R,4S,13S)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one

CAS 31759-29-2Formula C25H26O4Molar mass 390.48 g/mol
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Rubranine chemical structure, C25H26O4, CAS 31759-29-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
31759-29-2
Formula
C25H26O4
Molar mass
390.48 g/mol
HS code
293299
Category
Flavonoids and polyphenols

What is Rubranine?

Plain description, key identifiers and synonyms

Rubranine has been reported in Boesenbergia rotunda.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-[(1R,4S,13S)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one
CAS number
31759-29-2
Molecular formula
C25H26O4
InChIKey
JBBGZRUAGCHOGS-PLZINWHGSA-N
InChI
InChI=1S/C25H26O4/c1-24(2)17-11-12-25(3)14-16(17)21-20(28-25)13-19(27)22(23(21)29-24)18(26)10-9-15-7-5-4-6-8-15/h4-10,13,16-17,27H,11-12,14H2,1-3H3/b10-9+/t16-,17-,25+/m0/s1
Canonical SMILES
CC12CCC3C(C1)c1c(cc(O)c(C(=O)C=Cc4ccccc4)c1OC3(C)C)O2
Isomeric SMILES
C[C@@]12CC[C@H]3[C@H](C1)C4=C(O2)C=C(C(=C4OC3(C)C)C(=O)/C=C/C5=CC=CC=C5)O

Synonyms

  • (E)-1-((1R,4S,13S)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo(9.3.1.04,13.07,12)pentadeca-7,9,11-trien-8-yl)-3-phenylprop-2-en-1-one
  • (E)-1-[(1R,4S,13S)-9-hydroxy-1,5,5-trimethyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien-8-yl]-3-phenylprop-2-en-1-one

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
390.48 g/molcalc.
Exact mass
390.1831 Dacalc.
LogP (octanol/water)
5.49calc.
Topological polar surface area
55.76 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
29calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (1 violation)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=C(C=Cc1ccccc1)c1ccc2c3c1OCC1CCC(CC31)O2

O=C(C=Cc1ccccc1)c1ccc2c3c1OCC1CCC(CC31)O2

5 rings, 25 atoms.

1 other chemical 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.

Rubranine suppliers

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Rubranine 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

Quick answers about Rubranine, based on the data on this page

What is Rubranine?

Rubranine has been reported in Boesenbergia rotunda.

What is the CAS number of Rubranine?

The CAS registry number of Rubranine is 31759-29-2.

What is the molecular formula and weight of Rubranine?

The molecular formula of Rubranine is C25H26O4 and its molar mass is 390.48 g/mol.

Is Rubranine hazardous?

No GHS hazard classification for Rubranine 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 Rubranine?

Rubranine 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 Rubranine?

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What is the price of Rubranine?

Suppliers quote Rubranine 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 Rubranine

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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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