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Heterocyclic building blocks

Roxaticin

Also known as (+)-roxaticin

CAS 121073-98-1Formula C34H54O9Molar mass 606.80 g/mol
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Roxaticin chemical structure, C34H54O9, CAS 121073-98-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121073-98-1
Formula
C34H54O9
Molar mass
606.80 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Roxaticin?

Plain description, key identifiers and synonyms

Roxaticin is a chemical substance with the molecular formula C34H54O9 and a molar mass of 606.80 g/mol. Its CAS registry number is 121073-98-1. The IUPAC name is (3E,5E,7E,9E,11E,13S,14R,16R,18R,20S,22S,24R,26R,27E,29S,30S)-14,16,18,20,22,24,26-heptahydroxy-13,29-dimethyl-30-propan-2-yl-1-oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3E,5E,7E,9E,11E,13S,14R,16R,18R,20S,22S,24R,26R,27E,29S,30S)-14,16,18,20,22,24,26-heptahydroxy-13,29-dimethyl-30-propan-2-yl-1-oxacyclotriaconta-3,5,7,9,11,27-hexaen-2-one
CAS number
121073-98-1
Molecular formula
C34H54O9
InChIKey
TWLSSYLEUORHPQ-PSSLNRCTSA-N
InChI
InChI=1S/C34H54O9/c1-23(2)34-25(4)15-16-26(35)17-27(36)18-28(37)19-29(38)20-30(39)21-31(40)22-32(41)24(3)13-11-9-7-5-6-8-10-12-14-33(42)43-34/h5-16,23-32,34-41H,17-22H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,16-15+/t24-,25-,26-,27-,28+,29-,30+,31+,32+,34-/m0/s1
Canonical SMILES
CC(C)C1OC(=O)C=CC=CC=CC=CC=CC(C)C(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)C=CC1C
Isomeric SMILES
C[C@H]1/C=C/C=C/C=C/C=C/C=C/C(=O)O[C@H]([C@H](/C=C/[C@@H](C[C@@H](C[C@H](C[C@@H](C[C@H](C[C@H](C[C@H]1O)O)O)O)O)O)O)C)C(C)C

Synonyms

  • (+)-roxaticin

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
606.80 g/molcalc.
Exact mass
606.3768 Dacalc.
LogP (octanol/water)
3.04calc.
Topological polar surface area
167.9 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
1calc.
Heavy atoms
43calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.62calc.
Formal charge
0calc.
Stereocentres
10calc.
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=C1C=CC=CC=CC=CC=CCCCCCCCCCCCCCCC=CCCO1

O=C1C=CC=CC=CC=CC=CCCCCCCCCCCCCCCC=CCCO1

1 ring, 31 atoms.

No other chemical in our database has 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.

Roxaticin suppliers

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

Frequently asked questions

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

What is Roxaticin?

Roxaticin is a chemical substance with the molecular formula C34H54O9 and a molar mass of 606.80 g/mol. Its CAS registry number is 121073-98-1.

What is the CAS number of Roxaticin?

The CAS registry number of Roxaticin is 121073-98-1.

What is the molecular formula and weight of Roxaticin?

The molecular formula of Roxaticin is C34H54O9 and its molar mass is 606.80 g/mol.

What is Roxaticin used for?

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

Is Roxaticin hazardous?

No GHS hazard classification for Roxaticin 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 Roxaticin?

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

Where can I buy Roxaticin?

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

What is the price of Roxaticin?

Suppliers quote Roxaticin 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 Roxaticin

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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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