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1,3,5,6,9,11,17,33,37-Nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

HCID 147103
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Basic information

CAS
106799-07-9
Standard SMILES
C[C@@H]1[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O
InChIKey
VOPKRGFUUMVSHY-ZQCSYNFZSA-N
Molecular formula
C41H62O14
Average molar mass
778.9 g/mol
Monoisotopic mass
778.41395665

Names & identifiers

Preferred name
1,3,5,6,9,11,17,33,37-Nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
IUPAC
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
English name
Amphoteronolide B
Molecular formula
C41H62O14
Molecular weight
778.92258

Names & synonyms

DTXSID009101151,3,5,6,9,11,17,33,37-Nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid1,3,5,6,9,11,17,33,37-NONAHYDROXY-15,16,18-TRIMETHYL-13-OXO-14,39-DIOXABICYCLO[33.3.1]NONATRIACONTA-19,21,23,25,27,29,31-HEPTAENE-36-CARBOXYLIC ACIDRefChem:1052537DTXCID301339172Amphoteronolide B106799-07-9Amphotericin B aglyconeAmphoteronolide B (>80%)(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acidSCHEMBL3075443314,39-Dioxabicyclo(33.3.1)nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid, 1,3,5,6,9,11,17,33,37-nonahydroxy-15,16,18-trimethyl-13-oxo-, (1R-(1R*,3S*,5R*,6R*,9R*,11R*,15S*,16R*,17R*,18S*,19E,21E,23E,25E,27E,29E,31E,33R*,35S*,36R*,37S*))-
Show more names
Amphoteronolide B (>85%)Amphotericin B Impurity 6Amphoteronolide B(min 100mg)Amphotericin B Impurity 6 (Amphoteronolide B)

Database identifiers

CAS
106799-07-9
PubChem CID
147103
DTXSID
DTXSID00910115
Nikkaji
J3.703.253K

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
255 Ų
Hydrogen bond donors
10
Hydrogen bond acceptors
14
Rotatable bonds
1
Heavy atoms
55
Formal charge
0
Complexity
1,370

Physicochemical properties

Melting point
105 · 105 - 107°C
storage temp.
-20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
solubility
Acetonitrile (Slightly), Methanol (Slightly)
form
Solid
color
Orange

Chemistry & industry

Applications

UsesAmphoteronolide B is aglycon form of Amphotericin B (A634250) which are polyene macrolide antibiotics.

Suppliers18 total

艾吉析科技(上海)有限公司17717235263 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
Guangzhou PI PI BIOTECH INC020-81716320 13602409664 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 18012923235 · [email protected]
广州市震霖医药科技有限公司020-18102736 13622807357 · [email protected]

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Compound notes

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