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Heterocyclic building blocks

Orb1744813

Also known as (2R,3R,4aR,10bS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-one

CAS 887751-89-5Formula C15H18O6Molar mass 294.30 g/mol
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Orb1744813 chemical structure, C15H18O6, CAS 887751-89-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
887751-89-5
Formula
C15H18O6
Molar mass
294.30 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Orb1744813?

Plain description, key identifiers and synonyms

Orb1744813 is a chemical substance with the molecular formula C15H18O6 and a molar mass of 294.30 g/mol. Its CAS registry number is 887751-89-5. The IUPAC name is (2R,3R,4aR,10bS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3R,4aR,10bS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-one
CAS number
887751-89-5
Molecular formula
C15H18O6
InChIKey
HDWRQDAKGPKDFF-PETRGTFGSA-N
InChI
InChI=1S/C15H18O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-4,9-10,12,16-18H,5-6H2,1-2H3/t9-,10+,12+,15+/m0/s1
Canonical SMILES
COc1cc(O)c2c(c1)C1CC(O)C(O)CC1(C)OC2=O
Isomeric SMILES
C[C@@]12C[C@H]([C@@H](C[C@H]1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O)O

Synonyms

  • (2R,3R,4aR,10bS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-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
294.30 g/molcalc.
Exact mass
294.1103 Dacalc.
LogP (octanol/water)
0.93calc.
Topological polar surface area
96.22 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
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=C1OC2CCCCC2c2ccccc21

O=C1OC2CCCCC2c2ccccc21

3 rings, 15 atoms, the 1,2,3,4,4a,10b-Hexahydrobenzo[c]chromen-6-one ring system.

2 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.

Orb1744813 suppliers

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Orb1744813 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 Orb1744813 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 Orb1744813 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1744813, based on the data on this page

What is Orb1744813?

Orb1744813 is a chemical substance with the molecular formula C15H18O6 and a molar mass of 294.30 g/mol. Its CAS registry number is 887751-89-5. The IUPAC name is (2R,3R,4aR,10bS)-2,3,7-trihydroxy-9-methoxy-4a-methyl-2,3,4,10b-tetrahydro-1H-benzo[c]chromen-6-one.

What is the CAS number of Orb1744813?

The CAS registry number of Orb1744813 is 887751-89-5.

What is the molecular formula and weight of Orb1744813?

The molecular formula of Orb1744813 is C15H18O6 and its molar mass is 294.30 g/mol.

What is Orb1744813 used for?

Known uses and roles of Orb1744813 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1744813 hazardous?

No GHS hazard classification for Orb1744813 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 Orb1744813?

Orb1744813 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1744813?

Post a free request on CompoundList and suppliers of Orb1744813 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1744813?

Suppliers quote Orb1744813 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 Orb1744813

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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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