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Steroids and sterols

Orb3178253

CAS 71129-71-0Formula C30H46O9Molar mass 550.69 g/mol
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Orb3178253 chemical structure, C30H46O9, CAS 71129-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
71129-71-0
Formula
C30H46O9
Molar mass
550.69 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb3178253?

Plain description, key identifiers and synonyms

Orb3178253 is a chemical substance with the molecular formula C30H46O9 and a molar mass of 550.69 g/mol. Its CAS registry number is 71129-71-0. The IUPAC name is (2S,5S,6R,9R,13S,16S,18R)-16-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2-hydroxy-13-methylspiro[7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,4'-oxolane]-2'-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5S,6R,9R,13S,16S,18R)-16-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-2-hydroxy-13-methylspiro[7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosane-6,4'-oxolane]-2'-one
CAS number
71129-71-0
Molecular formula
C30H46O9
InChIKey
SAHFSRBBUCJJGW-CAYFWGHTSA-N
InChI
InChI=1S/C30H46O9/c1-16-23(32)25(35-3)24(33)26(38-16)39-18-6-9-27(2)17(12-18)4-5-20-19(27)7-10-28-14-37-29(13-22(31)36-15-29)21(28)8-11-30(20,28)34/h16-21,23-26,32-34H,4-15H2,1-3H3/t16-,17+,18-,19?,20?,21-,23-,24-,25+,26-,27-,28-,29-,30-/m0/s1
Canonical SMILES
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3CCC35COC6(COC(=O)C6)C3CCC45O)C2)C1O
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@@]56[C@@]4(CC[C@@H]5[C@@]7(CC(=O)OC7)OC6)O)C)O)OC)O

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
550.69 g/molcalc.
Exact mass
550.3142 Dacalc.
LogP (octanol/water)
2.32calc.
Topological polar surface area
123.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
3calc.
Heavy atoms
39calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.97calc.
Formal charge
0calc.
Stereocentres
14calc.
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, O=C1CC2(CO1)OCC13CCC4C5CCC(OC6CCCCO6)CC5CCC4C1CCC23

O=C1CC2(CO1)OCC13CCC4C5CCC(OC6CCCCO6)CC5CCC4C1CCC23

7 rings, 32 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.

Orb3178253 suppliers

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Orb3178253 price

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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 Orb3178253 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb3178253 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3178253, based on the data on this page

What is Orb3178253?

Orb3178253 is a chemical substance with the molecular formula C30H46O9 and a molar mass of 550.69 g/mol. Its CAS registry number is 71129-71-0.

What is the CAS number of Orb3178253?

The CAS registry number of Orb3178253 is 71129-71-0.

What is the molecular formula and weight of Orb3178253?

The molecular formula of Orb3178253 is C30H46O9 and its molar mass is 550.69 g/mol.

Is Orb3178253 hazardous?

No GHS hazard classification for Orb3178253 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 Orb3178253?

Orb3178253 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3178253?

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What is the price of Orb3178253?

Suppliers quote Orb3178253 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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