CompoundList
Sign in
Flavonoids and polyphenols

Thermorubin B

Also known as 1H-Anthra(2,3-c)pyran-8-acetic acid, 9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl)-10,11,12-trimethoxy-3-(methoxycarbonyl)-1-oxo-, methyl ester, {9-[(2Z)-3-Hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11,12-trimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-8-yl}acetic acid

CAS 178924-89-5Formula C33H26O12Molar mass 614.56 g/mol
Get quotes Safety data
Thermorubin B chemical structure, C33H26O12, CAS 178924-89-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
178924-89-5
Formula
C33H26O12
Molar mass
614.56 g/mol
HS code
293220
Category
Flavonoids and polyphenols

What is Thermorubin B?

Plain description, key identifiers and synonyms

Thermorubin B is a chemical substance with the molecular formula C33H26O12 and a molar mass of 614.56 g/mol. Its CAS registry number is 178924-89-5. The IUPAC name is 2-[9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11,12-trimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11,12-trimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid
CAS number
178924-89-5 CAS number cross-checked
Molecular formula
C33H26O12
UNII
FN1BY86W8U
InChIKey
FZUXCVFGNIBIRI-STZFKDTASA-N
InChI
InChI=1S/C33H26O12/c1-41-29-25(22(36)14-21(35)19-7-5-6-8-20(19)34)18(13-24(37)38)11-16-9-15-10-17-12-23(32(39)44-4)45-33(40)28(17)31(43-3)27(15)30(42-2)26(16)29/h5-12,14,34-35H,13H2,1-4H3,(H,37,38)/b21-14-
Canonical SMILES
COC(=O)c1cc2cc3cc4cc(CC(=O)O)c(C(=O)C=C(O)c5ccccc5O)c(OC)c4c(OC)c3c(OC)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=C2OC)C(=O)OC

Synonyms

  • 1H-Anthra(2,3-c)pyran-8-acetic acid, 9-(3-hydroxy-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl)-10,11,12-trimethoxy-3-(methoxycarbonyl)-1-oxo-, methyl ester
  • {9-[(2Z)-3-Hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11,12-trimethoxy-3-(methoxycarbonyl)-1-oxo-1H-anthra[2,3-c]pyran-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
614.56 g/molcalc.
Exact mass
614.1424 Dacalc.
LogP (octanol/water)
5.03calc.
Topological polar surface area
179 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
9calc.
Heavy atoms
45calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.15calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (3 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 B suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Thermorubin B can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Thermorubin B price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is Thermorubin B?

Thermorubin B is a chemical substance with the molecular formula C33H26O12 and a molar mass of 614.56 g/mol. Its CAS registry number is 178924-89-5. The IUPAC name is 2-[9-[(Z)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-enoyl]-10,11,12-trimethoxy-3-methoxycarbonyl-1-oxonaphtho[3,2-g]isochromen-8-yl]acetic acid.

What is the CAS number of Thermorubin B?

The CAS registry number of Thermorubin B is 178924-89-5.

What is the molecular formula and weight of Thermorubin B?

The molecular formula of Thermorubin B is C33H26O12 and its molar mass is 614.56 g/mol.

Is Thermorubin B hazardous?

No GHS hazard classification for Thermorubin B 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 B?

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

Where can I buy Thermorubin B?

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

What is the price of Thermorubin B?

Suppliers quote Thermorubin B 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 Thermorubin B

Get quotes for Thermorubin B

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Thermorubin B
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Thermorubin B with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/thermorubin-b-178924-89-5" title="Thermorubin B structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Flavonoids and polyphenols or HS code 293220

Price on request
Free quotes, contact stays private
Get quotes