Bruceoside B

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

CAS: 69687-69-0

Molecular Formula	`C32H42O16`
Molecular Weight	682.7 g/mol
LogP	-0.9
Topological Polar Surface Area	245.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	682.2473
Heavy Atoms	48
Complexity	1450.0

Chemical Identifiers

CAS Number	69687-69-0
SMILES	`CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O`
InChIKey	`JMEAKUYWADWLJX-NTTKDRKVSA-N`

📖 Product Overview

Bruceoside B (CAS: 69687-69-0) is a chemical compound with molecular formula C32H42O16 and molecular weight 682.7 g/mol. Its IUPAC systematic name is methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate. LogP -0.9 Topological Polar Surface Area 245.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 16 Rotatable Bonds 8 Exact Mass 682.2473 Heavy Atoms 48 Complexity 1450.0 InChI Key: JMEAKUYWADWLJX-NTTKDRKVSA-N. SMILES: CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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