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Steroids and sterols

Orb3141650

CAS 848784-87-2Formula C47H76O16Molar mass 897.11 g/mol
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Orb3141650 chemical structure, C47H76O16, CAS 848784-87-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
848784-87-2
Formula
C47H76O16
Molar mass
897.11 g/mol
HS code
293890
Category
Steroids and sterols

What is Orb3141650?

Plain description, key identifiers and synonyms

WOOPUJXMROOOPP-KSYIBZFCSA-N has been reported in Pulsatilla cernua.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
CAS number
848784-87-2
Molecular formula
C47H76O16
InChIKey
WOOPUJXMROOOPP-KSYIBZFCSA-N
InChI
InChI=1S/C47H76O16/c1-21(2)23-11-16-47(42(56)57)18-17-45(7)24(30(23)47)9-10-28-44(6)14-13-29(43(4,5)27(44)12-15-46(28,45)8)62-41-38(63-39-36(54)34(52)31(49)22(3)59-39)33(51)26(20-58-41)61-40-37(55)35(53)32(50)25(19-48)60-40/h22-41,48-55H,1,9-20H2,2-8H3,(H,56,57)/t22-,23-,24+,25+,26-,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
Canonical SMILES
C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C12
Isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4C3(C)C)C)C)C(=O)O)C(=C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)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
897.11 g/molcalc.
Exact mass
896.5133 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
254.5 Ųcalc.
Hydrogen bond donors
9calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
9calc.
Heavy atoms
63calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.94calc.
Formal charge
0calc.
Stereocentres
24calc.
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, C1CCC(OC2COC(OC3CCC4C(CCC5C4CCC4C6CCCC6CCC45)C3)C(OC3CCCCO3)C2)OC1

C1CCC(OC2COC(OC3CCC4C(CCC5C4CCC4C6CCCC6CCC45)C3)C(OC3CCCCO3)C2)OC1

8 rings, 42 atoms.

3 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.

Orb3141650 suppliers

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Orb3141650 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 Orb3141650 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 Orb3141650 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3141650, based on the data on this page

What is Orb3141650?

WOOPUJXMROOOPP-KSYIBZFCSA-N has been reported in Pulsatilla cernua.

What is the CAS number of Orb3141650?

The CAS registry number of Orb3141650 is 848784-87-2.

What is the molecular formula and weight of Orb3141650?

The molecular formula of Orb3141650 is C47H76O16 and its molar mass is 897.11 g/mol.

Is Orb3141650 hazardous?

No GHS hazard classification for Orb3141650 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 Orb3141650?

Orb3141650 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 Orb3141650?

Post a free request on CompoundList and suppliers of Orb3141650 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3141650?

Suppliers quote Orb3141650 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 Orb3141650

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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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