CompoundList
Sign in
Screening compounds

Odoratrin

Also known as Daphne factor P2

CAS 71252-72-7Formula C37H44O10Molar mass 648.75 g/mol
Get quotes Safety data
Odoratrin chemical structure, C37H44O10, CAS 71252-72-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71252-72-7
Formula
C37H44O10
Molar mass
648.75 g/mol
HS code
293299
Category
Screening compounds

What is Odoratrin?

Plain description, key identifiers and synonyms

Odoratrin is a chemical substance with the molecular formula C37H44O10 and a molar mass of 648.75 g/mol. Its CAS registry number is 71252-72-7. The IUPAC name is [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl] (2E,4E,6E)-deca-2,4,6-trienoate
CAS number
71252-72-7
Molecular formula
C37H44O10
InChIKey
WDTQMUHLTIKXFS-JXXNAEBBSA-N
InChI
InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-18,22-23,25,27,29-32,38,41-42H,2,6-7,19-20H2,1,3-5H3/b9-8+,11-10+,18-15+
Canonical SMILES
C=C(C)C12OC3(c4ccccc4)OC1C1C4OC4(CO)C(O)C4(O)C(=O)C(C)CC4C1(O3)C(C)C2OC(=O)C=CC=CC=CCCC
Isomeric SMILES
CCC/C=C/C=C/C=C/C(=O)OC1C(C23C4CC(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C

Synonyms

  • Daphne factor P2

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
648.75 g/molcalc.
Exact mass
648.2934 Dacalc.
LogP (octanol/water)
3.4calc.
Topological polar surface area
144.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
9calc.
Heavy atoms
47calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
13calc.
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=C1CCC2C1CC1OC1C1C3OC4(c5ccccc5)OC3CCC21O4

O=C1CCC2C1CC1OC1C1C3OC4(c5ccccc5)OC3CCC21O4

7 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.

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

Request quotesSell this chemical

Odoratrin 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

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

Frequently asked questions

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

What is Odoratrin?

Odoratrin is a chemical substance with the molecular formula C37H44O10 and a molar mass of 648.75 g/mol. Its CAS registry number is 71252-72-7.

What is the CAS number of Odoratrin?

The CAS registry number of Odoratrin is 71252-72-7.

What is the molecular formula and weight of Odoratrin?

The molecular formula of Odoratrin is C37H44O10 and its molar mass is 648.75 g/mol.

What is Odoratrin used for?

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

Is Odoratrin hazardous?

No GHS hazard classification for Odoratrin 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 Odoratrin?

Odoratrin 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 Odoratrin?

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

What is the price of Odoratrin?

Suppliers quote Odoratrin 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 Odoratrin

Get quotes for Odoratrin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Odoratrin
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 Odoratrin 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/odoratrin-71252-72-7" title="Odoratrin 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 Screening compounds or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes