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Screening compounds

Orb2893507

CAS 126199-34-6Formula C29H32O12Molar mass 572.56 g/mol
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Orb2893507 chemical structure, C29H32O12, CAS 126199-34-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126199-34-6
Formula
C29H32O12
Molar mass
572.56 g/mol
HS code
293299
Category
Screening compounds

What is Orb2893507?

Plain description, key identifiers and synonyms

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has been reported in Aloe perfoliata and Aloe vera.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
126199-34-6
Molecular formula
C29H32O12
InChIKey
DWFAOPWLORYRCM-IZZWGAOPSA-N
InChI
InChI=1S/C29H32O12/c1-13-8-20(38-3)24(27-23(13)19(34)11-16(39-27)9-14(2)31)28-29(26(37)25(36)21(12-30)40-28)41-22(35)7-5-15-4-6-17(32)18(33)10-15/h4-8,10-11,14,21,25-26,28-33,36-37H,9,12H2,1-3H3/b7-5+/t14-,21-,25-,26+,28+,29-/m1/s1
Canonical SMILES
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccc(O)c(O)c1
Isomeric SMILES
CC1=CC(=C(C2=C1C(=O)C=C(O2)C[C@@H](C)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)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
572.56 g/molcalc.
Exact mass
572.1894 Dacalc.
LogP (octanol/water)
1.22calc.
Topological polar surface area
196.4 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
8calc.
Heavy atoms
41calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (3 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=C(C=Cc1ccccc1)OC1CCCOC1c1cccc2c(=O)ccoc12

O=C(C=Cc1ccccc1)OC1CCCOC1c1cccc2c(=O)ccoc12

4 rings, 28 atoms.

11 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.

Orb2893507 suppliers

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Orb2893507 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 Orb2893507 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 Orb2893507 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2893507, based on the data on this page

What is Orb2893507?

[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4-oxochromen-8-yl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate has been reported in Aloe perfoliata and Aloe vera.

What is the CAS number of Orb2893507?

The CAS registry number of Orb2893507 is 126199-34-6.

What is the molecular formula and weight of Orb2893507?

The molecular formula of Orb2893507 is C29H32O12 and its molar mass is 572.56 g/mol.

What is Orb2893507 used for?

Known uses and roles of Orb2893507 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2893507 hazardous?

No GHS hazard classification for Orb2893507 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 Orb2893507?

Orb2893507 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 Orb2893507?

Post a free request on CompoundList and suppliers of Orb2893507 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2893507?

Suppliers quote Orb2893507 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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