CompoundList
Sign in
Screening compounds

Methyl obacunoate

CAS 751-48-4Formula C27H34O8Molar mass 486.56 g/mol
Get quotes Safety data
Methyl obacunoate chemical structure, C27H34O8, CAS 751-48-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
751-48-4
Formula
C27H34O8
Molar mass
486.56 g/mol
HS code
293220
Category
Screening compounds

What is Methyl obacunoate?

Plain description, key identifiers and synonyms

methyl 3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoate has been reported in Citrus paradisi.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoate
CAS number
751-48-4
Molecular formula
C27H34O8
InChIKey
ULSSDVPWMTUYAG-UHFFFAOYSA-N
InChI
InChI=1S/C27H34O8/c1-23(2,31)17-13-18(28)26(5)16(24(17,3)10-8-19(29)32-6)7-11-25(4)20(15-9-12-33-14-15)34-22(30)21-27(25,26)35-21/h8-10,12,14,16-17,20-21,31H,7,11,13H2,1-6H3
SMILES (canonical and isomeric)
CC12CCC3C(C(CC(=O)C3(C14C(O4)C(=O)OC2C5=COC=C5)C)C(C)(C)O)(C)C=CC(=O)OC

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
486.56 g/molcalc.
Exact mass
486.2254 Dacalc.
LogP (octanol/water)
3.53calc.
Topological polar surface area
115.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (0 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=C1OC(c2ccoc2)C2CCC3CCCC(=O)C3C23OC13

O=C1OC(c2ccoc2)C2CCC3CCCC(=O)C3C23OC13

5 rings, 22 atoms.

9 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.

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

Request quotesSell this chemical

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

Frequently asked questions

Quick answers about Methyl obacunoate, based on the data on this page

What is Methyl obacunoate?

methyl 3-[11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]prop-2-enoate has been reported in Citrus paradisi.

What is the CAS number of Methyl obacunoate?

The CAS registry number of Methyl obacunoate is 751-48-4.

What is the molecular formula and weight of Methyl obacunoate?

The molecular formula of Methyl obacunoate is C27H34O8 and its molar mass is 486.56 g/mol.

What is Methyl obacunoate used for?

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

Is Methyl obacunoate hazardous?

No GHS hazard classification for Methyl obacunoate 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 Methyl obacunoate?

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

Where can I buy Methyl obacunoate?

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

What is the price of Methyl obacunoate?

Suppliers quote Methyl obacunoate 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 Methyl obacunoate

Get quotes for Methyl obacunoate

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Methyl obacunoate
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 Methyl obacunoate 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/methyl-obacunoate-751-48-4" title="Methyl obacunoate 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 293220

Price on request
Free quotes, contact stays private
Get quotes