Metabolites-BOC Sciences

Actaplanin B1

Actaplanin B1 - CAS 88357-82-8

Catalog number: BBF-00022

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Catalog Number BBF-00022
CAS 88357-82-8
Description Actaplanin B1, a broad spectrum Gram-positive antibiotics, is produced by Actinoplanes missouriensis. It is used as a growth promoter to increase milk production.
Molecular Formula C90H101O39N8Cl
Molecular Weight 1954.24
Antibiotic Activity Spectrum Gram-positive bacteria
Synonyms 1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-(1,14,6,22)dioxadiazacyclooctacosino(4,5-m)(10,2,16)benzoxadiazacyclotetracosine, actaplanin B1 deriv.
IUPAC Name methyl 22-amino-2-[(4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-5-chloro-64-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-26,44,49-trihydroxy-30-methyl-21,35,38,54,56,59-hexaoxo-31,47-bis[[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29,31,33(60),41(57),42,44,46(51),47,49,65-henicosaene-52-carboxylate
Canonical SMILES CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)OC5C(C(C(C(O5)CO)O)O)O)C6=C(C=CC(=C6)C(C(=O)N3)NC(=O)C7C8=CC(=C(C(=C8)OC9=C(C=C2C=C9)Cl)OC1C(C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)C)O)O)O)OC1=CC=C(CC2C(=O)NC(C3=CC(=C(C(=C3)OC3C(C(C(C(O3)CO)O)O)O)C)OC3=C(C=CC(=C3)C(C(=O)N2)N)O)C(=O)N7)C=C1)O)C(=O)OC)N)O
InChI InChI=1S/C90H101ClN8O39/c1-29-48-19-36(20-49(29)131-88-75(116)71(112)67(108)54(26-100)133-88)61-83(121)97-62-37-21-52(128-39-10-5-32(6-11-39)15-44(80(118)95-61)94-81(119)59(93)33-7-13-46(105)50(18-33)130-48)78(137-90-79(73(114)69(110)56(28-102)135-90)138-87-74(115)70(111)66(107)31(3)127-87)53(22-37)129-47-14-9-35(17-42(47)91)77(136-57-25-43(92)65(106)30(2)126-57)64-85(123)98-63(86(124)125-4)41-23-38(103)24-51(132-89-76(117)72(113)68(109)55(27-101)134-89)58(41)40-16-34(8-12-45(40)104)60(82(120)99-64)96-84(62)122/h5-14,16-24,30-31,43-44,54-57,59-77,79,87-90,100-117H,15,25-28,92-93H2,1-4H3,(H,94,119)(H,95,118)(H,96,122)(H,97,121)(H,98,123)(H,99,120)/t30-,31-,43-,44?,54-,55-,56-,57?,59?,60?,61?,62?,63?,64?,65-,66-,67-,68-,69-,70+,71+,72+,73+,74+,75+,76+,77?,79-,87?,88?,89?,90?/m1/s1
InChI Key KAKQAAZRQJPUOS-DNGYIYSOSA-N
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