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Screening compounds

Stachybotramide

Also known as (4aS,8R,8aS)-3,4'-Dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro [2,3-E]isoindole]-6'-one

CAS 149598-71-0Formula C25H35NO5Molar mass 429.56 g/mol
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Stachybotramide chemical structure, C25H35NO5, CAS 149598-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
149598-71-0
Formula
C25H35NO5
Molar mass
429.56 g/mol
HS code
293499
Category
Screening compounds

What is Stachybotramide?

Plain description, key identifiers and synonyms

Stachybotramide has been reported in Stachybotrys cylindrospora and Stachybotrys chartarum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-6'-one
CAS number
149598-71-0
Molecular formula
C25H35NO5
InChIKey
ZHECNBLIOXZXBL-TUJJLKMMSA-N
InChI
InChI=1S/C25H35NO5/c1-14-5-6-19-23(2,3)20(29)7-8-24(19,4)25(14)12-16-18(28)11-15-17(21(16)31-25)13-26(9-10-27)22(15)30/h11,14,19-20,27-29H,5-10,12-13H2,1-4H3/t14-,19+,20-,24+,25-/m1/s1
Canonical SMILES
CC1CCC2C(C)(C)C(O)CCC2(C)C12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O
Isomeric SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCO)O)(CC[C@H](C2(C)C)O)C

Synonyms

  • (4aS,8R,8aS)-3,4'-Dihydroxy-7'-(2-hydroxyethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro [2,3-E]isoindole]-6'-one

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
429.56 g/molcalc.
Exact mass
429.2515 Dacalc.
LogP (octanol/water)
3.25calc.
Topological polar surface area
90.23 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.72calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 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=C1NCc2c1ccc1c2OC2(CCCC3CCCCC32)C1

O=C1NCc2c1ccc1c2OC2(CCCC3CCCCC32)C1

5 rings, 22 atoms.

17 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.

Stachybotramide suppliers

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

Frequently asked questions

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

What is Stachybotramide?

Stachybotramide has been reported in Stachybotrys cylindrospora and Stachybotrys chartarum.

What is the CAS number of Stachybotramide?

The CAS registry number of Stachybotramide is 149598-71-0.

What is the molecular formula and weight of Stachybotramide?

The molecular formula of Stachybotramide is C25H35NO5 and its molar mass is 429.56 g/mol.

What is Stachybotramide used for?

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

Is Stachybotramide hazardous?

No GHS hazard classification for Stachybotramide 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 Stachybotramide?

Stachybotramide 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 Stachybotramide?

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

What is the price of Stachybotramide?

Suppliers quote Stachybotramide 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 Stachybotramide

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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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