Identifikasi	Data fisik	Spectra
Rute Sintesis (ROS)	Keamanan dan Bahaya	data lainnya

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Identifikasi

Nama Produk	turkesteron
Nama IUPAC	p(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Struktur Molekuler
Nomor CAS	41451-87-0
Nomor MDL	MFCD04307740
Sinonim	Turkesteron 41451-87-0 53E6Z3F8ZG (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one UNII-53E6Z3F8ZG 2,3,11,14,20,22,25-Heptahydroxycholestenone SCHEMBL140174 CHEMBL2087140 CHEBI: 191170 WSBAGDDNVWTLOM-XHZKDPLLSA-N HY-N2548 AKOS032946018 AC-35148 MS-29224 CS-0022820 Q27261101 (2beta,3beta,5beta,11alpha,22R)-2,3,11,14,20,22,25-Heptahydroxycholest-7-en-6-one (2.BETA.,3.BETA.,5.BETA.,11.ALPHA.,22R)-2,3,11,14,20,22,25-HEPTAHYDROXYCHOLEST-7-EN-6-ONE CHOLEST-7-EN-6-ONE, 2,3,11,14,20,22,25-HEPTAHYDROXY-, (2.BETA.,3.BETA.,5.BETA.,11.ALPHA.,22R)-
Formula Molekuler	C27H44O8
Berat molekul	496.6
inchi	InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1
Kunci InChI	WSBAGDDNVWTLOM-XHZKDPLLSA-N
Isomer SMILES	C[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O

Informasi Paten
ID Paten	Judul	Tanggal penerbitan
CN116813683	Keemun uniflower swisscentaury root sterone compound as well as extraction method and anti-tumor application thereof	2023

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Data fisik

Penampilan

Off-White to Pale Yellow solid

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Spectra

Deskripsi (Spektroskopi NMR)	Inti (Spektroskopi NMR)	Pelarut (Spektroskopi NMR)	Frekuensi (Spektroskopi NMR), MHz
Pergeseran kimiawi	1H	CD3OD
Pergeseran kimiawi	13C	CD3OD
Pergeseran kimiawi	1H	CD3OD	500
Pergeseran kimiawi	13C	CD3OD	125
Pergeseran kimiawi	13C	tetradeuteriometanol	125.7
Pergeseran kimiawi	1H	tetradeuteriometanol	500

Deskripsi (Spektroskopi IR)	Pelarut (Spektroskopi IR)
Intensitas pita IR, Pita
Band	KBr

Pelarut (Spektroskopi UV / VIS)	Absorpsi Maxima (UV / VIS), nm
metanol	232
H2O, NaOH	232, 290

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Rute Sintesis (ROS)

Kondisi	Menghasilkan
With pyridine at 10 – 20℃; for 0.333333h; Prosedur percobaan synthesis of 2,3,11,22-O-tetra-(o-methoxybenzoyl)turkesterone (7) used the general method The product was purified over a column of silica gel with elution by hexane-EtOAc (2:3) to produce the new derivative 2,3,11,22-tetra-O-(o-methoxybenzoyl)turkesterone (7, 61.0 mg, 74.8%), mp 118-119°C, Rf 0.29 (hexane-EtOAc, 4:1).	74.8%

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Keamanan dan Bahaya

Pernyataan Bahaya GHS

Tidak Diklasifikasikan

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data lainnya

Kode HS
Storage	Hygroscopic, -20 ° C Freezer, Di bawah atmosfer inert
Shelf Life	2 tahun
Harga pasar

Keserupaan obat
Komponen aturan Lipinski
Berat molekul	496.642
logP	-0.192
HBA	8
HBD	7
Mencocokkan Aturan Lipinski	3
Komponen aturan Veber
Area Permukaan Kutub (PSA)	158.68
Bond yang Dapat Diputar (RotB)	5
Mencocokkan Aturan Veber	1

Gunakan Pola

Tucosone exhibits anti-inflammatory properties and is commonly used to treat conditions such as rheumatoid arthritis and osteoarthritis. Tucosone is used as a plant growth regulator to promote the growth and development of crops, enhancing yield and quality. In certain cases, Tucosone is utilized as a fruit ripening agent to promote uniform ripening and facilitate harvesting.

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