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Steroids and sterols

Orbicuside B

Also known as (+)-Orbicuside B

CAS 105801-17-0Formula C30H38O10Molar mass 558.62 g/mol
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Orbicuside B chemical structure, C30H38O10, CAS 105801-17-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
105801-17-0
Formula
C30H38O10
Molar mass
558.62 g/mol
HS code
293220
Category
Steroids and sterols

What is Orbicuside B?

Plain description, key identifiers and synonyms

Orbicuside B has been reported in Cotyledon orbiculata.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[(1S,3S,4S,5S,6S,7S,8R,11R,12R,14S,16S,18R,20S,22S,24S,25S)-5,6,11-trihydroxy-3,7,22-trimethyl-13,19,21,26,27-pentaoxaoctacyclo[22.2.1.01,18.03,16.04,12.07,11.012,14.020,25]heptacosan-8-yl]pyran-2-one
CAS number
105801-17-0
Molecular formula
C30H38O10
InChIKey
IUSQHZMTRKEVLT-LPDHUPCYSA-N
InChI
InChI=1S/C30H38O10/c1-13-8-17-22-25(36-13)37-18-9-15-10-19-30(39-19)23(26(15,2)12-28(18,38-17)40-22)21(32)24(33)27(3)16(6-7-29(27,30)34)14-4-5-20(31)35-11-14/h4-5,11,13,15-19,21-25,32-34H,6-10,12H2,1-3H3/t13-,15+,16+,17-,18+,19-,21-,22-,23+,24+,25-,26-,27-,28-,29+,30-/m0/s1
Canonical SMILES
CC1CC2OC34CC5(C)C(CC3OC(O1)C2O4)CC1OC12C5C(O)C(O)C1(C)C(c3ccc(=O)oc3)CCC12O
Isomeric SMILES
C[C@H]1C[C@H]2[C@H]3[C@@H](O1)O[C@@H]4C[C@@H]5C[C@H]6[C@]7(O6)[C@@H]([C@]5(C[C@]4(O2)O3)C)[C@@H]([C@H]([C@]8([C@@]7(CC[C@@H]8C9=COC(=O)C=C9)O)C)O)O

Synonyms

  • (+)-Orbicuside B

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
558.62 g/molcalc.
Exact mass
558.2465 Dacalc.
LogP (octanol/water)
1.58calc.
Topological polar surface area
140.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
1calc.
Heavy atoms
40calc.
Rings
9calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.83calc.
Formal charge
0calc.
Stereocentres
16calc.
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=c1ccc(C2CCC3C2CCC2C4CC56OC7CCOC(OC5CC4CC4OC423)C7O6)co1

O=c1ccc(C2CCC3C2CCC2C4CC56OC7CCOC(OC5CC4CC4OC423)C7O6)co1

9 rings, 34 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.

Orbicuside B suppliers

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Orbicuside B 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 Orbicuside B is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Orbicuside B, based on the data on this page

What is Orbicuside B?

Orbicuside B has been reported in Cotyledon orbiculata.

What is the CAS number of Orbicuside B?

The CAS registry number of Orbicuside B is 105801-17-0.

What is the molecular formula and weight of Orbicuside B?

The molecular formula of Orbicuside B is C30H38O10 and its molar mass is 558.62 g/mol.

Is Orbicuside B hazardous?

No GHS hazard classification for Orbicuside B 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 Orbicuside B?

Orbicuside B is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orbicuside B?

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What is the price of Orbicuside B?

Suppliers quote Orbicuside B 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 Orbicuside B

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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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