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Screening compounds

Secalonsaure D

Also known as Secalonic acid d from penicillium*oxalicum, SAD, Ergochrome AA (2,6-alpha,10-beta-5',6'-alpha,10'-beta

CAS 60687-07-2Formula C32H30O14Molar mass 638.58 g/mol
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Secalonsaure D chemical structure, C32H30O14, CAS 60687-07-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
60687-07-2
Formula
C32H30O14
Molar mass
638.58 g/mol
HS code
293299
Category
Screening compounds

What is Secalonsaure D?

Plain description, key identifiers and synonyms

Secalonsaure D is a chemical substance with the molecular formula C32H30O14 and a molar mass of 638.58 g/mol. Its CAS registry number is 60687-07-2. The IUPAC name is methyl 4,8,9-trihydroxy-3-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4,8,9-trihydroxy-3-methyl-1-oxo-7-(1,5,9-trihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl)-3,4-dihydro-2H-xanthene-4a-carboxylate
CAS number
60687-07-2Other or deprecated CAS: 35287-69-5, 56283-72-8
Molecular formula
C32H30O14
InChIKey
NFZJAYYORNVZNI-UHFFFAOYSA-N
InChI
InChI=1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3
SMILES (canonical and isomeric)
CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O

Synonyms

  • Secalonic acid d from penicillium*oxalicum
  • SAD
  • Ergochrome AA (2,6-alpha,10-beta-5',6'-alpha,10'-beta
  • Secalonsaure a
  • Secalonsaure b
  • dimethyl 1,1',5,5',9,9'-hexahydroxy-6,6'-dimethyl-8,8'-dioxo-5,5',6,6',7,7',8,8'-octahydro-10aH,10a'H-2,2'-bixanthene-10a,10a'-dicarboxylate
  • Ergochrome AA (2,2')-5-beta,6-alpha,10-beta-5',6'-alpha,10'-beta
  • Ergochrome AA(2,2'), (5beta,6alpha,10beta)-(5'beta,6'alpha,10'beta)-

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
638.58 g/molcalc.
Exact mass
638.1636 Dacalc.
LogP (octanol/water)
1.85calc.
Topological polar surface area
226.6 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
3calc.
Heavy atoms
46calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Fails (3 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=C1CCCC2Oc3ccc(-c4ccc5c(c4)C=C4C(=O)CCCC4O5)cc3C=C12

O=C1CCCC2Oc3ccc(-c4ccc5c(c4)C=C4C(=O)CCCC4O5)cc3C=C12

6 rings, 30 atoms.

10 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.

Secalonsaure D suppliers

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

Frequently asked questions

Quick answers about Secalonsaure D, based on the data on this page

What is Secalonsaure D?

Secalonsaure D is a chemical substance with the molecular formula C32H30O14 and a molar mass of 638.58 g/mol. Its CAS registry number is 60687-07-2.

What is the CAS number of Secalonsaure D?

The CAS registry number of Secalonsaure D is 60687-07-2. Other or deprecated CAS numbers: 35287-69-5, 56283-72-8.

What is the molecular formula and weight of Secalonsaure D?

The molecular formula of Secalonsaure D is C32H30O14 and its molar mass is 638.58 g/mol.

What is Secalonsaure D used for?

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

Is Secalonsaure D hazardous?

No GHS hazard classification for Secalonsaure D 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 Secalonsaure D?

Secalonsaure D 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 Secalonsaure D?

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

What is the price of Secalonsaure D?

Suppliers quote Secalonsaure D 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 Secalonsaure D

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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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