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Screening compounds

Orb1681725

Formula C30H37NO9Molar mass 555.62 g/mol
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Orb1681725 chemical structure, C30H37NO9
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C30H37NO9
Molar mass
555.62 g/mol
HS code
293339
Category
Screening compounds

What is Orb1681725?

Plain description, key identifiers and synonyms

Orb1681725 is a chemical substance with the molecular formula C30H37NO9 and a molar mass of 555.62 g/mol. The IUPAC name is [(3S,4aR,5S,6R,6aR,10R,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(3S,4aR,5S,6R,6aR,10R,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate
Molecular formula
C30H37NO9
InChIKey
NVJGRPGPCIYGRC-PTVSIWKESA-N
InChI
InChI=1S/C30H37NO9/c1-17-9-10-21(39-26(35)20-8-7-13-31-15-20)23-27(4)11-12-30(14-22(34)36-16-30)40-29(27,6)25(38-19(3)33)24(28(17,23)5)37-18(2)32/h7-9,13,15,21,23-25H,10-12,14,16H2,1-6H3/t21-,23?,24+,25+,27-,28+,29+,30+/m1/s1
Canonical SMILES
CC(=O)OC1C(OC(C)=O)C2(C)OC3(CCC2(C)C2C(OC(=O)c4cccnc4)CC=C(C)C12C)COC(=O)C3
Isomeric SMILES
CC1=CC[C@H](C2[C@]1([C@H]([C@@H]([C@]3([C@@]2(CC[C@]4(O3)CC(=O)OC4)C)C)OC(=O)C)OC(=O)C)C)OC(=O)C5=CN=CC=C5

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
555.62 g/molcalc.
Exact mass
555.2468 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
127.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (1 violation)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=C1CC2(CCC3C(CCC4C=CCC(OC(=O)c5cccnc5)C43)O2)CO1

O=C1CC2(CCC3C(CCC4C=CCC(OC(=O)c5cccnc5)C43)O2)CO1

5 rings, 28 atoms.

3 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.

Orb1681725 suppliers

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Orb1681725 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 Orb1681725 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1681725 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1681725, based on the data on this page

What is Orb1681725?

Orb1681725 is a chemical substance with the molecular formula C30H37NO9 and a molar mass of 555.62 g/mol. The IUPAC name is [(3S,4aR,5S,6R,6aR,10R,10bR)-5,6-diacetyloxy-4a,6a,7,10b-tetramethyl-2'-oxospiro[2,5,6,9,10,10a-hexahydro-1H-benzo[f]chromene-3,4'-oxolane]-10-yl] pyridine-3-carboxylate.

What is the molecular formula and weight of Orb1681725?

The molecular formula of Orb1681725 is C30H37NO9 and its molar mass is 555.62 g/mol.

What is Orb1681725 used for?

Known uses and roles of Orb1681725 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1681725 hazardous?

No GHS hazard classification for Orb1681725 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 Orb1681725?

Orb1681725 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1681725?

Post a free request on CompoundList and suppliers of Orb1681725 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1681725?

Suppliers quote Orb1681725 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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