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Screening compounds

Pseudopterosin E

Also known as (1S,3R,7S,9aR)-2,3,7,8,9,9a-Hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propenyl)-1H-phenalen-5-yl 6-deoxy-alpha-L-galactopyranoside, alpha-L-Galactopyranoside, (1S,3R,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy-, (2S,3S,4R,5S,6S)-2-(((4R,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy)-6-methyloxane-3,4,5-triol

CAS 121011-80-1Formula C26H38O6Molar mass 446.58 g/mol
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Pseudopterosin E chemical structure, C26H38O6, CAS 121011-80-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121011-80-1
Formula
C26H38O6
Molar mass
446.58 g/mol
HS code
293299
Category
Screening compounds

What is Pseudopterosin E?

Plain description, key identifiers and synonyms

pseudopterosin E has been reported in Antillogorgia elisabethae.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S,4R,5S,6S)-2-[[(4R,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol
CAS number
121011-80-1
Molecular formula
C26H38O6
UNII
JB99Y7528W
InChIKey
LIAAPIYLHKRUNZ-BRPLUSLASA-N
InChI
InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)25(22(18)28)32-26-24(30)23(29)21(27)15(6)31-26/h9,12-13,15-17,21,23-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15-,16-,17+,21+,23+,24-,26-/m0/s1
Canonical SMILES
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(OC4OC(C)C(O)C(O)C4O)c(C)c1c32
Isomeric SMILES
C[C@H]1CC[C@@H]2[C@H](C[C@@H](C3=C(C(=C(C1=C23)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)C)C=C(C)C)C

Synonyms

  • (1S,3R,7S,9aR)-2,3,7,8,9,9a-Hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propenyl)-1H-phenalen-5-yl 6-deoxy-alpha-L-galactopyranoside
  • alpha-L-Galactopyranoside, (1S,3R,7S,9aR)-2,3,7,8,9,9a-hexahydro-6-hydroxy-1,4,7-trimethyl-3-(2-methyl-1-propen-1-yl)-1H-phenalen-5-yl 6-deoxy-
  • (2S,3S,4R,5S,6S)-2-(((4R,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl)oxy)-6-methyloxane-3,4,5-triol
  • (2S,3S,4R,5S,6S)-2-[[(4R,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol

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
446.58 g/molcalc.
Exact mass
446.2668 Dacalc.
LogP (octanol/water)
3.98calc.
Topological polar surface area
99.38 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
9calc.
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, c1c(OC2CCCCO2)cc2c3c1CCCC3CCC2

c1c(OC2CCCCO2)cc2c3c1CCCC3CCC2

4 rings, 20 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.

Pseudopterosin E suppliers

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

Frequently asked questions

Quick answers about Pseudopterosin E, based on the data on this page

What is Pseudopterosin E?

pseudopterosin E has been reported in Antillogorgia elisabethae.

What is the CAS number of Pseudopterosin E?

The CAS registry number of Pseudopterosin E is 121011-80-1.

What is the molecular formula and weight of Pseudopterosin E?

The molecular formula of Pseudopterosin E is C26H38O6 and its molar mass is 446.58 g/mol.

What is Pseudopterosin E used for?

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

Is Pseudopterosin E hazardous?

No GHS hazard classification for Pseudopterosin E 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 Pseudopterosin E?

Pseudopterosin E 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 Pseudopterosin E?

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

What is the price of Pseudopterosin E?

Suppliers quote Pseudopterosin E 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

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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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