Sprengerinin C | CAS No. 88861-91-0

Basic Information

CAS Number

88861-91-0

Molecular Formula

C44H70O16

Molecular Weight

855.03 g/mol

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Basic Physical Properties

Physical State

Powder

Melting Point

262-265 ºC (methanol )

Density

1.40±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.1E-3 g/L) (25 ºC),

SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-35(51)33(49)31(47)21(3)55-40)36(52)37(29(16-45)57-41)58-39-34(50)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1

InChIKey

HSOMTBUZSIVDQK-QYOOOATOSA-N

LogP

0.8532000000000057

Topological Polar Surface Area

235.67999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 16

Complexity

1570

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Synonyms & References

English

Sprengerinin C
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1→2)-O-[beta-D-xylopyranosyl-(1→4)]-beta-D-glucopyranoside
[ "" ]
2-[4-Hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4R,6R,8R,9S,12R,13R)-5',7,9,13-tetramethylspiro[5-oxapentac
(3β,25R)-Spirost-5-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→4)]-β-D-glucopyranoside (ACI)
CS-0016600
88861-91-0
HY-N1213
DA-67733
AKOS032962659
CHEMBL505077
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

MDL_Number

MFCD06203537

CAS Number

88861-91-0

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Shanghai Tongtian Biotechnology Co., Ltd.
China - Shanghai Hansi Chemical Co., Ltd.
China - Shanghai Yuyeh Biotechnology Co., Ltd.
Italy - 3V MABO Spa
Germany - Karl Simon GmbH & Co. KG
Switzerland - KELLER AG für Druckmesstechnik
India - Shanti Inorgochem Gujarat Private Limited
Spain - Cunado