(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one

CAS: 4802-74-8

Molecular Formula	`C27H42O4`
Molecular Weight	430.6 g/mol
LogP	4.9
Topological Polar Surface Area	55.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	430.30832
Heavy Atoms	31
Complexity	766.0

Chemical Identifiers

CAS Number	4802-74-8
SMILES	`CC1CCC2(C(C3C(O2)CC4C3(CC(=O)C5C4CCC6C5(CCC(C6)O)C)C)C)OC1`
InChIKey	`QVZULXNXCIFMTL-IXCVKQQLSA-N`

📖 Product Overview

(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one (CAS: 4802-74-8) is a chemical compound with molecular formula C27H42O4 and molecular weight 430.6 g/mol. Its IUPAC systematic name is (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one. LogP 4.9 Topological Polar Surface Area 55.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 430.30832 Heavy Atoms 31 Complexity 766.0 InChI Key: QVZULXNXCIFMTL-IXCVKQQLSA-N. SMILES: CC1CCC2(C(C3C(O2)CC4C3(CC(=O)C5C4CCC6C5(CCC(C6)O)C)C)C)OC1.

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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,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-11-one.

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