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Steroids and sterols

Orb3211854

CAS 156250-68-9Formula C36H46O14Molar mass 702.75 g/mol
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Orb3211854 chemical structure, C36H46O14, CAS 156250-68-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
156250-68-9
Formula
C36H46O14
Molar mass
702.75 g/mol
HS code
293219
Category
Steroids and sterols

What is Orb3211854?

Plain description, key identifiers and synonyms

[4,20,21-Triacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate has been reported in Melia azedarach and Melia.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4,20,21-triacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
CAS number
156250-68-9
Molecular formula
C36H46O14
InChIKey
ZXYBAVNFURYQBW-UHFFFAOYSA-N
InChI
InChI=1S/C36H46O14/c1-15(2)30(43)49-31-32(6)21-12-22(40)34(8)26(35(21,14-45-31)27(42)25(46-16(3)37)29(32)48-18(5)39)24(41)28(47-17(4)38)33(7)20(19-9-10-44-13-19)11-23-36(33,34)50-23/h9-10,13,15,20-23,25-29,31,40,42H,11-12,14H2,1-8H3
SMILES (canonical and isomeric)
CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(C(C2OC(=O)C)OC(=O)C)O)C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)OC(=O)C)C)O)C

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
702.75 g/molcalc.
Exact mass
702.2888 Dacalc.
LogP (octanol/water)
2.21calc.
Topological polar surface area
197.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
6calc.
Heavy atoms
50calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.75calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (2 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=C1CC2C(c3ccoc3)CC3OC32C2CCC3C4CCCC3(COC4)C12

O=C1CC2C(c3ccoc3)CC3OC32C2CCC3C4CCCC3(COC4)C12

7 rings, 27 atoms.

13 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.

Orb3211854 suppliers

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Orb3211854 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb3211854 is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3211854 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3211854, based on the data on this page

What is Orb3211854?

[4,20,21-Triacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate has been reported in Melia azedarach and Melia.

What is the CAS number of Orb3211854?

The CAS registry number of Orb3211854 is 156250-68-9.

What is the molecular formula and weight of Orb3211854?

The molecular formula of Orb3211854 is C36H46O14 and its molar mass is 702.75 g/mol.

Is Orb3211854 hazardous?

No GHS hazard classification for Orb3211854 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 Orb3211854?

Orb3211854 is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3211854?

Post a free request on CompoundList and suppliers of Orb3211854 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3211854?

Suppliers quote Orb3211854 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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