CompoundList
Sign in
Esters and lactones

Regelin

Also known as Regelin C, Methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid, Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, methyl ester, (22alpha)-

CAS 109974-21-2Formula C31H48O4Molar mass 484.72 g/mol
Get quotes Safety data
Regelin chemical structure, C31H48O4, CAS 109974-21-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109974-21-2
Formula
C31H48O4
Molar mass
484.72 g/mol
HS code
291899
Category
Esters and lactones

What is Regelin?

Plain description, key identifiers and synonyms

Regelin is a pentacyclic triterpenoid with formula C31H48O4, originally isolated from the roots of Tripterygium regelii. It has a role as a plant metabolite. It is a methyl ester, a pentacyclic triterpenoid, a secondary alcohol and a cyclic ketone. It derives from a hydride of an ursane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,2R,4S,4aR,6aR,6aS,6bR,8aR,12aR,14bR)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate
CAS number
109974-21-2
Molecular formula
C31H48O4
InChIKey
YQPSLCRGQUNTRC-JXIPVQOYSA-N
InChI
InChI=1S/C31H48O4/c1-18-19(26(34)35-8)17-24(33)29(5)15-16-30(6)20(25(18)29)9-10-22-28(4)13-12-23(32)27(2,3)21(28)11-14-31(22,30)7/h9,18-19,21-22,24-25,33H,10-17H2,1-8H3/t18-,19+,21-,22+,24-,25+,28-,29-,30+,31+/m0/s1
Canonical SMILES
COC(=O)C1CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1C
Isomeric SMILES
C[C@H]1[C@@H](C[C@@H]([C@]2([C@H]1C3=CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C)O)C(=O)OC

Synonyms

  • Regelin C
  • Methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid
  • Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, methyl ester, (22alpha)-

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
484.72 g/molcalc.
Exact mass
484.3553 Dacalc.
LogP (octanol/water)
6.36calc.
Topological polar surface area
63.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1

O=C1CCC2C(CCC3C4CCC5CCCCC5C4=CCC23)C1

5 rings, 23 atoms.

61 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.

Regelin 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 Regelin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Regelin 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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 Regelin is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Regelin?

Regelin is a pentacyclic triterpenoid with formula C31H48O4, originally isolated from the roots of Tripterygium regelii. It has a role as a plant metabolite. It is a methyl ester, a pentacyclic triterpenoid, a secondary alcohol and a cyclic ketone. It derives from a hydride of an ursane.

What is the CAS number of Regelin?

The CAS registry number of Regelin is 109974-21-2.

What is the molecular formula and weight of Regelin?

The molecular formula of Regelin is C31H48O4 and its molar mass is 484.72 g/mol.

What is Regelin used for?

Known uses and roles of Regelin include eukaryotic metabolite, metabolite and plant metabolite.

Is Regelin hazardous?

No GHS hazard classification for Regelin 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 Regelin?

Regelin is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Regelin?

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

What is the price of Regelin?

Suppliers quote Regelin 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 Regelin

Get quotes for Regelin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Regelin
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 Regelin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/regelin-109974-21-2" title="Regelin 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 Esters and lactones or HS code 291899

Price on request
Free quotes, contact stays private
Get quotes