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Heterocyclic building blocks

Orb3211776

CAS 1383604-85-0Formula C39H52O10Molar mass 680.84 g/mol
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Orb3211776 chemical structure, C39H52O10, CAS 1383604-85-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1383604-85-0
Formula
C39H52O10
Molar mass
680.84 g/mol
HS code
293219
Category
Heterocyclic building blocks

What is Orb3211776?

Plain description, key identifiers and synonyms

Orb3211776 is a chemical substance with the molecular formula C39H52O10 and a molar mass of 680.84 g/mol. Its CAS registry number is 1383604-85-0. The IUPAC name is [(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4-methoxy-1,9,11,16-tetramethyl-12-[(E)-2-methylbut-2-enoyl]oxy-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4-methoxy-1,9,11,16-tetramethyl-12-[(E)-2-methylbut-2-enoyl]oxy-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-19-yl] (E)-2-methylbut-2-enoate
CAS number
1383604-85-0
Molecular formula
C39H52O10
InChIKey
CNTRLWUWARYGOA-LBRUCKHTSA-N
InChI
InChI=1S/C39H52O10/c1-11-20(3)35(41)48-29-17-28(46-23(6)40)37(7)19-45-32-33(37)38(29,8)27-16-30(43-10)47-26-15-25(24-13-14-44-18-24)22(5)31(26)39(27,9)34(32)49-36(42)21(4)12-2/h11-14,18,25-30,32-34H,15-17,19H2,1-10H3/b20-11+,21-12+/t25-,26+,27-,28-,29+,30-,32-,33+,34-,37-,38+,39-/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1C2OCC3(C)C(OC(C)=O)CC(OC(=O)C(C)=CC)C(C)(C23)C2CC(OC)OC3CC(c4ccoc4)C(C)=C3C12C
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]4C[C@@H](O[C@H]5C[C@H](C(=C5[C@@]4([C@@H]3OC(=O)/C(=C/C)/C)C)C)C6=COC=C6)OC)C)C)OC(=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
680.84 g/molcalc.
Exact mass
680.356 Dacalc.
LogP (octanol/water)
6.6calc.
Topological polar surface area
119.7 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
49calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
12calc.
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, C1=C2C(CC1c1ccoc1)OCCC1C2CC2OCC3CCCC1C32

C1=C2C(CC1c1ccoc1)OCCC1C2CC2OCC3CCCC1C32

6 rings, 25 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.

Orb3211776 suppliers

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Orb3211776 price

Indicative price range per kg from live supplier offers

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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 Orb3211776 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 Orb3211776 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3211776, based on the data on this page

What is Orb3211776?

Orb3211776 is a chemical substance with the molecular formula C39H52O10 and a molar mass of 680.84 g/mol. Its CAS registry number is 1383604-85-0.

What is the CAS number of Orb3211776?

The CAS registry number of Orb3211776 is 1383604-85-0.

What is the molecular formula and weight of Orb3211776?

The molecular formula of Orb3211776 is C39H52O10 and its molar mass is 680.84 g/mol.

What is Orb3211776 used for?

Known uses and roles of Orb3211776 include building blocks in research and laboratory.

Is Orb3211776 hazardous?

No GHS hazard classification for Orb3211776 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 Orb3211776?

Orb3211776 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 Orb3211776?

Post a free request on CompoundList and suppliers of Orb3211776 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3211776?

Suppliers quote Orb3211776 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 Orb3211776

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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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