CompoundList
Sign in
Screening compounds

Hernanol

Also known as (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one, (3R,4R)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-((3,4,5-trimethoxyphenyl)methyl)oxolan-2-one, O4,O5--dimethylthujaplicatin

CAS 651340-40-8Formula C22H26O7Molar mass 402.44 g/mol
Get quotes Safety data
Hernanol chemical structure, C22H26O7, CAS 651340-40-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
651340-40-8
Formula
C22H26O7
Molar mass
402.44 g/mol
HS code
293220
Category
Screening compounds

What is Hernanol?

Plain description, key identifiers and synonyms

Hernanol has been reported in Hernandia nymphaeifolia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CAS number
651340-40-8
Molecular formula
C22H26O7
InChIKey
NQDCTUUMEFECTD-JKSUJKDBSA-N
InChI
InChI=1S/C22H26O7/c1-25-18-9-13(5-6-17(18)23)7-15-12-29-22(24)16(15)8-14-10-19(26-2)21(28-4)20(11-14)27-3/h5-6,9-11,15-16,23H,7-8,12H2,1-4H3/t15-,16+/m0/s1
Canonical SMILES
COc1cc(CC2COC(=O)C2Cc2cc(OC)c(OC)c(OC)c2)ccc1O
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C[C@@H]2[C@H](COC2=O)CC3=CC(=C(C=C3)O)OC

Synonyms

  • (3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
  • (3R,4R)-4-((4-hydroxy-3-methoxyphenyl)methyl)-3-((3,4,5-trimethoxyphenyl)methyl)oxolan-2-one
  • O4,O5--dimethylthujaplicatin
  • (3R,4R)-4-(4-hydroxy-3-methoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one
  • 4-(4-Hydroxy-3-methoxy-benzyl)-3-(3,4,5-trimethoxy-benzyl)-dihydro-furan-2-one
  • 2(3H)-furanone, dihydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-

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
402.44 g/molcalc.
Exact mass
402.1679 Dacalc.
LogP (octanol/water)
3calc.
Topological polar surface area
83.45 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1OCC(Cc2ccccc2)C1Cc1ccccc1

O=C1OCC(Cc2ccccc2)C1Cc1ccccc1

3 rings, 20 atoms.

49 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.

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

Request quotesSell this chemical

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

Frequently asked questions

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

What is Hernanol?

Hernanol has been reported in Hernandia nymphaeifolia.

What is the CAS number of Hernanol?

The CAS registry number of Hernanol is 651340-40-8.

What is the molecular formula and weight of Hernanol?

The molecular formula of Hernanol is C22H26O7 and its molar mass is 402.44 g/mol.

What is Hernanol used for?

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

Is Hernanol hazardous?

No GHS hazard classification for Hernanol 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 Hernanol?

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

Where can I buy Hernanol?

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

What is the price of Hernanol?

Suppliers quote Hernanol 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 Hernanol

Get quotes for Hernanol

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Hernanol
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 Hernanol 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/hernanol-651340-40-8" title="Hernanol 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