(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

CAS: 16463-85-7

Molecular Formula	`C29H35FO6`
Molecular Weight	498.6 g/mol
LogP	3.4
Topological Polar Surface Area	93.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	498.24176
Heavy Atoms	36
Complexity	1010.0

Chemical Identifiers

CAS Number	16463-85-7
SMILES	`CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CC5C4(OC(O5)(C)C6=CC=CC=C6)C(=O)CO)C)O)F`
InChIKey	`QCYWBAOQPAOALZ-ZPHQKVKWSA-N`

📖 Product Overview

(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one (CAS: 16463-85-7) is a chemical compound with molecular formula C29H35FO6 and molecular weight 498.6 g/mol. Its IUPAC systematic name is (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one. LogP 3.4 Topological Polar Surface Area 93.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 498.24176 Heavy Atoms 36 Complexity 1010.0 InChI Key: QCYWBAOQPAOALZ-ZPHQKVKWSA-N. SMILES: CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CC5C4(OC(O5)(C)C6=CC=CC=C6)C(=O)CO)C)O)F.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-6-phenyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one.

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