[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate

CAS: 57716-89-9

Molecular Formula	`C37H58O8`
Molecular Weight	630.8 g/mol
LogP	7.1
Topological Polar Surface Area	119.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	18
Exact Mass	630.41315
Heavy Atoms	45
Complexity	1170.0

Chemical Identifiers

CAS Number	57716-89-9
SMILES	`CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)OC)CO)C4C1(C4(C)C)OC(=O)C)O)C`
InChIKey	`VCWNAJUHTLWQQT-XCHBPHIQSA-N`

📖 Product Overview

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate (CAS: 57716-89-9) is a chemical compound with molecular formula C37H58O8 and molecular weight 630.8 g/mol. Its IUPAC systematic name is [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate. LogP 7.1 Topological Polar Surface Area 119.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 18 Exact Mass 630.41315 Heavy Atoms 45 Complexity 1170.0 InChI Key: VCWNAJUHTLWQQT-XCHBPHIQSA-N. SMILES: CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)OC)CO)C4C1(C4(C)C)OC(=O)C)O)C.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate.

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