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Screening compounds

7-Methoxyrosmanol

Also known as (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one, (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo(7.5.2.01,10.02,7)hexadeca-2,4,6-trien-15-one, 7-O-Methylrosmanol

CAS 113085-62-4Formula C21H28O5Molar mass 360.45 g/molEC 802-508-5
GHS signal word: Warning. Pictograms: Hazardous to the environment
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7-Methoxyrosmanol chemical structure, C21H28O5, CAS 113085-62-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
113085-62-4
Formula
C21H28O5
Molar mass
360.45 g/mol
EC number
802-508-5
HS code
293220
Category
Screening compounds

What is 7-Methoxyrosmanol?

Plain description, key identifiers and synonyms

7-O-Methylrosmanol has been reported in Salvia officinalis, Lepechinia urbanii, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
CAS number
113085-62-4
EC number
802-508-5
Molecular formula
C21H28O5
InChIKey
XNPVHIQPSAZTLC-NYUBLWNDSA-N
InChI
InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1
Canonical SMILES
COC1c2cc(C(C)C)c(O)c(O)c2C23CCCC(C)(C)C2C1OC3=O
Isomeric SMILES
CC(C)C1=C(C(=C2C(=C1)[C@@H]([C@@H]3[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)OC)O)O

Synonyms

  • (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
  • (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo(7.5.2.01,10.02,7)hexadeca-2,4,6-trien-15-one
  • 7-O-Methylrosmanol
  • (4bR,8aS,9S,10S)-3,4-dihydroxy-2-isopropyl-10-methoxy-8,8-dimethyl-6,7,8,8a,9,10-hexahydro-5H-9,4b-(epoxymethano)phenanthren-12-one
  • 7-O-Methoxyrosmanol
  • 7-Methylrosmanol, >=95% (LC/MS-ELSD)
  • 7-Methylrosmanol - Rosmarinus officinalis (rosemary)
  • 11,12-Dihydroxy-7alpha-methoxy-6beta-6,20-epoxyabieta-8,11,13-trien-20-one
  • (1R,8S,9S,10S)-3,4-dihydroxy-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
  • (1R,8S,9S,10S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2(7),3,5-trien-15-one

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
360.45 g/molcalc.
Exact mass
360.1937 Dacalc.
LogP (octanol/water)
3.91calc.
Topological polar surface area
75.99 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1OC2Cc3ccccc3C13CCCCC23

O=C1OC2Cc3ccccc3C13CCCCC23

4 rings, 17 atoms.

9 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

7-Methoxyrosmanol suppliers

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7-Methoxyrosmanol price

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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 7-Methoxyrosmanol 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 7-Methoxyrosmanol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 7-Methoxyrosmanol, based on the data on this page

What is 7-Methoxyrosmanol?

7-O-Methylrosmanol has been reported in Salvia officinalis, Lepechinia urbanii, and other organisms.

What is the CAS number of 7-Methoxyrosmanol?

The CAS registry number of 7-Methoxyrosmanol is 113085-62-4.

What is the molecular formula and weight of 7-Methoxyrosmanol?

The molecular formula of 7-Methoxyrosmanol is C21H28O5 and its molar mass is 360.45 g/mol.

What is 7-Methoxyrosmanol used for?

Known uses and roles of 7-Methoxyrosmanol include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 7-Methoxyrosmanol hazardous?

7-Methoxyrosmanol carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 7-Methoxyrosmanol?

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

Where can I buy 7-Methoxyrosmanol?

Post a free request on CompoundList and suppliers of 7-Methoxyrosmanol will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 7-Methoxyrosmanol?

Suppliers quote 7-Methoxyrosmanol 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

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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