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Flavonoids and polyphenols

Thermorubin

Also known as Thermorubin A, 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid, 1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-

CAS 37577-75-6Formula C32H24O12Molar mass 600.53 g/mol
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Thermorubin chemical structure, C32H24O12, CAS 37577-75-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
37577-75-6
Formula
C32H24O12
Molar mass
600.53 g/mol
HS code
293220
Category
Flavonoids and polyphenols

What is Thermorubin?

Plain description, key identifiers and synonyms

Thermorubin A is a methyl ester, a dicarboxylic acid monoester and a naphthoisochromene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
CAS number
37577-75-6Other or deprecated CAS: 11006-83-0
Molecular formula
C32H24O12
UNII
3687KKH84L, UE3QVK518U
InChIKey
GGEDVBUCHDZLTH-MOSHPQCFSA-N
InChI
InChI=1S/C32H24O12/c1-41-29-24(21(35)13-20(34)18-6-4-5-7-19(18)33)17(12-23(36)37)10-15-8-14-9-16-11-22(31(39)43-3)44-32(40)26(16)28(38)25(14)30(42-2)27(15)29/h4-11,13,33-34,38H,12H2,1-3H3,(H,36,37)/b20-13-
Canonical SMILES
COC(=O)c1cc2cc3cc4cc(CC(=O)O)c(C(=O)C=C(O)c5ccccc5O)c(OC)c4c(OC)c3c(O)c2c(=O)o1
Isomeric SMILES
COC1=C2C(=CC3=CC(=C(C(=C31)OC)C(=O)/C=C(/C4=CC=CC=C4O)\O)CC(=O)O)C=C5C=C(OC(=O)C5=C2O)C(=O)OC

Synonyms

  • Thermorubin A
  • 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
  • 1H-Anthra(2,3-c)pyran-8-acetic acid, 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-
  • {12-hydroxy-9-[(2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho[2,3-g]isochromen-8-yl}acetic acid
  • 1H-Anthra(2,3-c)pyran-8-acetic acid, 12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl)-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-
  • (12-hydroxy-9-((2Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl)-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-naphtho(2,3-g)isochromen-8-yl)acetic acid
  • 2-(12-hydroxy-9-((Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl)-10,11-dimethoxy-3-methoxycarbonyl-1-oxonaphtho(3,2-g)isochromen-8-yl)acetic acid
  • 10,11-Dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-1H-anthra(2,3-c)pyran-8-acetate
  • 10,11-dimethoxy-12-hydroxy-9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propenyl)-3-(methoxycarbonyl)-1-oxo-1H-anthra(2,3-c)pyran-8-acetic acid
  • 12-Hydroxy-9-[3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-10,11-dimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-acetic acid
  • 2-[12-hydroxy-9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11-dimethoxy-3-methoxycarbonyl-1-oxo-naphtho[3,2-g]isochromen-8-yl]acetic acid

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
600.53 g/molcalc.
Exact mass
600.1268 Dacalc.
LogP (octanol/water)
4.72calc.
Topological polar surface area
190 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
44calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C(C=Cc1ccccc1)c1ccc2cc3cc4ccoc(=O)c4cc3cc2c1

O=C(C=Cc1ccccc1)c1ccc2cc3cc4ccoc(=O)c4cc3cc2c1

5 rings, 29 atoms.

2 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.

Thermorubin suppliers

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Thermorubin 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 Thermorubin is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thermorubin?

Thermorubin A is a methyl ester, a dicarboxylic acid monoester and a naphthoisochromene.

What is the CAS number of Thermorubin?

The CAS registry number of Thermorubin is 37577-75-6. Other or deprecated CAS numbers: 11006-83-0.

What is the molecular formula and weight of Thermorubin?

The molecular formula of Thermorubin is C32H24O12 and its molar mass is 600.53 g/mol.

Is Thermorubin hazardous?

No GHS hazard classification for Thermorubin 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 Thermorubin?

Thermorubin is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thermorubin?

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What is the price of Thermorubin?

Suppliers quote Thermorubin 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

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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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