(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24 ~]pentacosa[10,14,16,22]tetraen]-2'-one | CAS No. 77855-81-3

Basic Information

CAS Number

77855-81-3

Molecular Formula

C33H48O7

Molecular Weight

556.74 g/mol

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Basic Physical Properties

Melting Point

186-188°

Boiling Point

460.61°C (rough estimate)

Density

1.0367 (rough estimate)

Refractive Index

1.5300 (estimate)

Specific Rotation

D27 +107° (c = 0.25 in acetone)

SMILES

CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C(C)C

InChI

InChI=1S/C33H48O7/c1-19(2)29-22(5)12-13-32(40-29)17-26-16-25(39-32)11-10-21(4)14-20(3)8-7-9-24-18-37-30-28(34)23(6)15-27(31(35)38-26)33(24,30)36/h7-10,15,19-20,22,25-30,34,36H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1

InChIKey

BWCRYQGQPDBOAU-WZBVPYLGSA-N

LogP

5.1703000000000054

Topological Polar Surface Area

94.45 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

1090

Classification & Uses

Chemical Classification

Pharmaceutical Products APIs & Intermediates Intermediates

Safety Information

Synonyms & References

English

NS00011685
Milbemycin D
(6R,25R)-5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
(6R,25)-5-O-Demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)milbemycin B
BRN 4282549
Milbemycin D (~90%)
BWCRYQGQPDBOAU-WZBVPYLGSA-N
77855-81-3
04S0E2XJQI
5-O-demethyl-28-deoxy-6R,28-epoxy-25R-(1-methylethyl)-milbemycin B
(2aE,4E,5'S,6R,6'R,8E,11R,13R,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetradecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one
UNII-04S0E2XJQI
CHEBI:141371
B 41D
Q27247671
MILBEMYCIN D [MI]
Milbemycin B, 5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)-, (6R,25R)-
Antibiotic B 41D
(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
SCHEMBL202949
MILBEMYCIN OXIME IMPURITY C [EP IMPURITY]
Milbemycin B,5-O-demethyl-28-deoxy-6,28-epoxy-25-(1-methylethyl)-, (6R,25R)-

MDL_Number

MFCD01939747

CAS Number

77855-81-3

Supplier Information

Supplier Name	Member Level	Authentication Status	Main Category	MOQ	Action
China - Hubei Yangxin Pharmaceutical Technology Co., Ltd.
China - Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.
China - Shanghai Hansi Chemical Co., Ltd.
China - Shanghai Jixiang Biotechnology Co., Ltd.
China - Shanghai Aladdin Bio-Technologies Co., Ltd.
Germany - MTD GmbH
United Kingdom - SYNCROSCOPY
China - Hangzhou Fenghe Biological Technology Co., Ltd.