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Steroids and sterols

Isopyrocalciferol

Also known as Isopyrovitamin D2, Isopyroergocalciferol, 9beta-Ergosterol

CAS 474-70-4Formula C28H44OMolar mass 396.66 g/mol
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Isopyrocalciferol chemical structure, C28H44O, CAS 474-70-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
474-70-4
Formula
C28H44O
Molar mass
396.66 g/mol
HS code
290613
Category
Steroids and sterols

What is Isopyrocalciferol?

Plain description, key identifiers and synonyms

isopyrocalciferol has been reported in Fusarium fujikuroi and Cornicularia normoerica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS number
474-70-4
Molecular formula
C28H44O
UNII
4207F36618
InChIKey
DNVPQKQSNYMLRS-PAWLVPEASA-N
InChI
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26+,27-,28+/m0/s1
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

Synonyms

  • Isopyrovitamin D2
  • Isopyroergocalciferol
  • 9beta-Ergosterol
  • 9beta-Ergosta-5,7,22-trien-3beta-ol
  • Ergosta-5,7,22-trien-3-ol, (3beta,9beta,22E)-
  • (3S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
  • (3S,9R,10R,13R,14R,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-ol

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
396.66 g/molcalc.
Exact mass
396.3392 Dacalc.
LogP (octanol/water)
7.33calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.79calc.
Formal charge
0calc.
Stereocentres
8calc.
Lipinski rule of five
Passes (1 violation)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, C1=C2CCCCC2C2CCC3CCCC3C2=C1

C1=C2CCCCC2C2CCC3CCCC3C2=C1

4 rings, 17 atoms.

78 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.

Isopyrocalciferol suppliers

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Isopyrocalciferol 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

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 Isopyrocalciferol is traded under.

HS 2906.13Indicative HS code

Sterols and inositols

World exports in 2024
$316M
−12.1% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. China42.0%
  2. United States16.4%
  3. Netherlands9.6%
Top importers
  1. Ecuador * partner reported13.0%
  2. China13.0%
  3. United States9.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isopyrocalciferol?

isopyrocalciferol has been reported in Fusarium fujikuroi and Cornicularia normoerica.

What is the CAS number of Isopyrocalciferol?

The CAS registry number of Isopyrocalciferol is 474-70-4.

What is the molecular formula and weight of Isopyrocalciferol?

The molecular formula of Isopyrocalciferol is C28H44O and its molar mass is 396.66 g/mol.

Is Isopyrocalciferol hazardous?

No GHS hazard classification for Isopyrocalciferol 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 Isopyrocalciferol?

Isopyrocalciferol is usually classified under HS code 290613 (Sterols and inositols). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isopyrocalciferol?

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

What is the price of Isopyrocalciferol?

Suppliers quote Isopyrocalciferol 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 Isopyrocalciferol

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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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