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Heterocyclic compounds

Vineomycin A1

Also known as Vineomycin A(sub 1), Antibiotic OS 4742 A(sub 1), OS-4742 A1

CAS 78164-00-8Formula C49H58O18Molar mass 934.99 g/molEC 636-075-7
GHS signal word: Warning. Pictograms: Harmful or irritant
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Vineomycin A1 chemical structure, C49H58O18, CAS 78164-00-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
78164-00-8
Formula
C49H58O18
Molar mass
934.99 g/mol
EC number
636-075-7
HS code
293299
Category
Heterocyclic compounds

What is Vineomycin A1?

Plain description, key identifiers and synonyms

Vineomycin A1 is an angucycline.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4aR,12bS)-4a,8,12b-trihydroxy-9-[(2R,4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]-3-methyl-3-[(2S,5S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
CAS number
78164-00-8
EC number
636-075-7
Molecular formula
C49H58O18
InChIKey
YHSTYYHRDFATAQ-XURVNGJNSA-N
InChI
InChI=1S/C49H58O18/c1-22-30(50)9-13-37(60-22)64-33-11-15-39(62-24(33)3)66-46-26(5)59-35(19-32(46)52)27-7-8-28-41(43(27)54)44(55)29-17-18-48(57)21-47(6,20-36(53)49(48,58)42(29)45(28)56)67-40-16-12-34(25(4)63-40)65-38-14-10-31(51)23(2)61-38/h7-10,13-14,17-18,22-26,32-35,37-40,46,52,54,57-58H,11-12,15-16,19-21H2,1-6H3/t22-,23-,24-,25-,26+,32+,33-,34-,35+,37-,38-,39-,40-,46+,47-,48-,49-/m0/s1
SMILES
C[C@H]1[C@H](CC[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2O)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)C[C@](C6)(C)O[C@H]7CC[C@@H]([C@@H](O7)C)O[C@H]8C=CC(=O)[C@@H](O8)C)O)O)O)C)O[C@H]9C=CC(=O)[C@@H](O9)C

Synonyms

  • Vineomycin A(sub 1)
  • Antibiotic OS 4742 A(sub 1)
  • OS-4742 A1
  • P 1894B
  • Vineomycin
  • OS-4742A(1)

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
934.99 g/molcalc.
Exact mass
934.3623 Dacalc.
LogP (octanol/water)
3.39calc.
Topological polar surface area
249.3 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
18calc.
Rotatable bonds
9calc.
Heavy atoms
67calc.
Rings
9calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
17calc.
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(OC2CCC(OC3CCC(c4ccc5c(c4)C(=O)C4=C(C5=O)C5C(=O)CC(OC6CCC(OC7C=CC(=O)CO7)CO6)CC5C=C4)OC3)OC2)OC1

O=C1C=CC(OC2CCC(OC3CCC(c4ccc5c(c4)C(=O)C4=C(C5=O)C5C(=O)CC(OC6CCC(OC7C=CC(=O)CO7)CO6)CC5C=C4)OC3)OC2)OC1

9 rings, 57 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Vineomycin A1 suppliers

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Vineomycin A1 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 Vineomycin A1 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Vineomycin A1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Vineomycin A1, based on the data on this page

What is Vineomycin A1?

Vineomycin A1 is an angucycline.

What is the CAS number of Vineomycin A1?

The CAS registry number of Vineomycin A1 is 78164-00-8.

What is the molecular formula and weight of Vineomycin A1?

The molecular formula of Vineomycin A1 is C49H58O18 and its molar mass is 934.99 g/mol.

Is Vineomycin A1 hazardous?

Vineomycin A1 carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Vineomycin A1?

Vineomycin A1 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vineomycin A1?

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What is the price of Vineomycin A1?

Suppliers quote Vineomycin A1 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 Vineomycin A1

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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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