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Pneumocandin B0 structure, CAS 135575-42-7

Pneumocandin B0

CAS Number135575-42-7

SynonymsPneumocandinB0; B0 PneuMocandin B0; pneumocandin Bo; Pneumocardin B0

Molecular FormulaC50H80N8O17

Molecular Weight1065.214

Purity

Density1.4±0.1 g/cm3

Boiling Point1442.9±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-2179033 Purity:
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Quality Control of [ 135575-42-7 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number135575-42-7
Catalog No.2A-2179033
Chinese Name纽莫康定 B0
SynonymsPneumocandinB0; B0 PneuMocandin B0; pneumocandin Bo; Pneumocardin B0
Molecular FormulaC50H80N8O17
Molecular Weight1065.214
Density1.4±0.1 g/cm3
Boiling Point1442.9±65.0 °C at 760 mmHg
Storage Condition-20°C
ApplicationPneumocandin B0 (L-688786) is a synthetic intermediate of Cancidas.
SMILESCCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O
InChIInChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30+,31-,32-,33-,34-,35+,38-,39-,40-,41-,42-,43-,46+/m0/s1
InChI KeyDQXPFAADCTZLNL-FXDJFZINSA-N
MSDSmsds/179758_1_135575_42_7.pdf
Transport InfoProduct name: Neomocontin B0
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