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Steroids and sterols

Neoergosterol

Also known as Neoergosterin, (3beta,22E)-19-Norergosta-5,7,9,22-tetraen-3-ol, 19-Norergosta-5,7,9,22-tetraen-3-ol, (3beta,22E)-

CAS 516-98-3Formula C27H40OMolar mass 380.62 g/mol
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Neoergosterol chemical structure, C27H40O, CAS 516-98-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
516-98-3
Formula
C27H40O
Molar mass
380.62 g/mol
HS code
290629
Category
Steroids and sterols

What is Neoergosterol?

Plain description, key identifiers and synonyms

Neoergosterol has been reported in Phycomyces blakesleeanus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
CAS number
516-98-3
Molecular formula
C27H40O
UNII
ZPU0VBW70R
InChIKey
MNMJPUHGVUDRCV-DOOCTISASA-N
InChI
InChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/t18-,19+,21-,25+,26-,27+/m0/s1
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2c3ccc4c(c3CCC21C)CCC(O)C4
Isomeric SMILES
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3CC[C@@H](C4)O)C

Synonyms

  • Neoergosterin
  • (3beta,22E)-19-Norergosta-5,7,9,22-tetraen-3-ol
  • 19-Norergosta-5,7,9,22-tetraen-3-ol, (3beta,22E)-
  • 19-Nor-24-methylcholest-5,7,9,22-tetraen-3beta-ol
  • (3S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
  • (3S,13R,14R,17R)-17-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-13-methyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-3-ol
  • 19-norergosta-5,7,9,22-tetraen-3beta-ol
  • 17-[(2E)-1,4,5-Trimethyl-2-hexenyl]estra-5(10),6,8-trien-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
380.62 g/molcalc.
Exact mass
380.3079 Dacalc.
LogP (octanol/water)
6.47calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
6calc.
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, c1cc2c(c3c1CCCC3)CCC1CCCC21

c1cc2c(c3c1CCCC3)CCC1CCCC21

4 rings, 17 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.

Neoergosterol suppliers

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Neoergosterol 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 Neoergosterol is traded under.

HS 2906.29Indicative HS code

Aromatic, other

World exports in 2024
$326M
+13.4% vs 2023, imports $229M
2019 to 2024
Top exporters
  1. China46.3%
  2. Saudi Arabia27.5%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported26.5%
  2. China7.3%
  3. United States6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Neoergosterol?

Neoergosterol has been reported in Phycomyces blakesleeanus.

What is the CAS number of Neoergosterol?

The CAS registry number of Neoergosterol is 516-98-3.

What is the molecular formula and weight of Neoergosterol?

The molecular formula of Neoergosterol is C27H40O and its molar mass is 380.62 g/mol.

Is Neoergosterol hazardous?

No GHS hazard classification for Neoergosterol 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 Neoergosterol?

Neoergosterol is usually classified under HS code 290629 (Aromatic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neoergosterol?

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

What is the price of Neoergosterol?

Suppliers quote Neoergosterol 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 Neoergosterol

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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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