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Heterocyclic building blocks

Orb3212030

CAS 200399-45-7Formula C37H48O10Molar mass 652.78 g/mol
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Orb3212030 chemical structure, C37H48O10, CAS 200399-45-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
200399-45-7
Formula
C37H48O10
Molar mass
652.78 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Orb3212030?

Plain description, key identifiers and synonyms

Ohchinolide C has been reported in Melia azedarach.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-19-acetyloxy-8-(furan-3-yl)-1,9,11,16-tetramethyl-17-(2-methylpropanoyloxy)-4-oxo-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
CAS number
200399-45-7
Molecular formula
C37H48O10
InChIKey
SICUEZAFVFZILZ-TWSHYRGMSA-N
InChI
InChI=1S/C37H48O10/c1-10-19(4)34(41)47-32-30-31-35(7,17-43-30)26(46-33(40)18(2)3)15-27(44-21(6)38)36(31,8)25-14-28(39)45-24-13-23(22-11-12-42-16-22)20(5)29(24)37(25,32)9/h10-12,16,18,23-27,30-32H,13-15,17H2,1-9H3/b19-10+/t23-,24+,25-,26-,27+,30-,31+,32-,35-,36+,37-/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1C2OCC3(C)C(OC(=O)C(C)C)CC(OC(C)=O)C(C)(C23)C2CC(=O)OC3CC(c4ccoc4)C(C)=C3C12C
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@@H]4[C@@]1(C5=C([C@@H](C[C@@H]5OC(=O)C4)C6=COC=C6)C)C)C)OC(=O)C)OC(=O)C(C)C)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
652.78 g/molcalc.
Exact mass
652.3247 Dacalc.
LogP (octanol/water)
5.84calc.
Topological polar surface area
127.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
6calc.
Heavy atoms
47calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.68calc.
Formal charge
0calc.
Stereocentres
11calc.
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(CC3OCC4CCCC2C43)C2=CC(c3ccoc3)CC2O1

O=C1CC2C(CC3OCC4CCCC2C43)C2=CC(c3ccoc3)CC2O1

6 rings, 26 atoms.

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.

Orb3212030 suppliers

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Orb3212030 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 Orb3212030 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 Orb3212030 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3212030, based on the data on this page

What is Orb3212030?

Ohchinolide C has been reported in Melia azedarach.

What is the CAS number of Orb3212030?

The CAS registry number of Orb3212030 is 200399-45-7.

What is the molecular formula and weight of Orb3212030?

The molecular formula of Orb3212030 is C37H48O10 and its molar mass is 652.78 g/mol.

What is Orb3212030 used for?

Known uses and roles of Orb3212030 include building blocks in research and laboratory.

Is Orb3212030 hazardous?

No GHS hazard classification for Orb3212030 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 Orb3212030?

Orb3212030 is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3212030?

Post a free request on CompoundList and suppliers of Orb3212030 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3212030?

Suppliers quote Orb3212030 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 Orb3212030

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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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