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Heterocyclic building blocks

Germitrine

Also known as Germitrin, Germine 3-(1)-2-methylbutyrate 7-acetate 15(d)-2-hydroxyl-2-methylbutyrate, 4-21-00-06809 (Beilstein Handbook Reference)

CAS 560-48-5Formula C39H61NO12Molar mass 735.91 g/mol
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Germitrine chemical structure, C39H61NO12, CAS 560-48-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
560-48-5
Formula
C39H61NO12
Molar mass
735.91 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Germitrine?

Plain description, key identifiers and synonyms

Germitrine is a chemical substance with the molecular formula C39H61NO12 and a molar mass of 735.91 g/mol. Its CAS registry number is 560-48-5. The IUPAC name is [(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23R,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-13-[(2R)-2-methylbutanoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] (2S)-2-hydroxy-2-methylbutanoate
CAS number
560-48-5
Molecular formula
C39H61NO12
UNII
U1G91M951M
InChIKey
FLFCQWMYNRYARR-WBIXJPJDSA-N
InChI
InChI=1S/C39H61NO12/c1-9-20(4)32(43)51-31-29(42)28-22(18-40-17-19(3)11-12-26(40)36(28,8)46)23-16-37-30(38(23,31)47)24(49-21(5)41)15-25-34(37,6)14-13-27(39(25,48)52-37)50-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20+,22-,23-,24+,25-,26-,27-,28+,29+,30+,31-,34-,35-,36+,37+,38-,39+/m0/s1
Canonical SMILES
CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(OC(=O)C(C)(O)CC)CCC3(C)C5CC(OC(C)=O)C4C21O
Isomeric SMILES
CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H](C[C@H]6[C@]7([C@]5(C4)O[C@]6([C@H](CC7)OC(=O)[C@](C)(CC)O)O)C)OC(=O)C)O)O

Synonyms

  • Germitrin
  • Germine 3-(1)-2-methylbutyrate 7-acetate 15(d)-2-hydroxyl-2-methylbutyrate
  • 4-21-00-06809 (Beilstein Handbook Reference)
  • Cevane-3-beta,4-beta,7-alpha,14,15-alpha,16-beta,20-heptol, 4,9-epoxy-, 7-acetate, 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)
  • Cevane-3beta,4beta,7alpha,14,15alpha,16beta,20-heptol, 4,9-epoxy-, 7-acetate 15-((+)-2-hydroxy-2-methylbutyrate) 3-((-)-2-methylbutyrate)

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
735.91 g/molcalc.
Exact mass
735.4194 Dacalc.
LogP (octanol/water)
2.07calc.
Topological polar surface area
192.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
7calc.
Heavy atoms
52calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.92calc.
Formal charge
0calc.
Stereocentres
18calc.
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, C1CCN2CC3C(CCC4C3CC35OC6CCCC3C6CCC45)CC2C1

C1CCN2CC3C(CCC4C3CC35OC6CCCC3C6CCC45)CC2C1

7 rings, 26 atoms.

66 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.

Germitrine suppliers

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Germitrine 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 Germitrine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Germitrine?

Germitrine is a chemical substance with the molecular formula C39H61NO12 and a molar mass of 735.91 g/mol. Its CAS registry number is 560-48-5.

What is the CAS number of Germitrine?

The CAS registry number of Germitrine is 560-48-5.

What is the molecular formula and weight of Germitrine?

The molecular formula of Germitrine is C39H61NO12 and its molar mass is 735.91 g/mol.

What is Germitrine used for?

Known uses and roles of Germitrine include cooling agents in flavors and fragrances and building blocks in research and laboratory.

Is Germitrine hazardous?

No GHS hazard classification for Germitrine 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 Germitrine?

Germitrine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Germitrine?

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

What is the price of Germitrine?

Suppliers quote Germitrine 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 Germitrine

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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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