Chem
J-GLOBAL ID:200907048747074790   Nikkaji number:J363.670D

Venturicidin B

ベンツリシジンB
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C40H66O10
Molecular formula furigana: C40-H66-O10
Molecular weight: 706.958
InChI: InChI=1S/C40H66O10/c1-10-32(41)29(8)36(44)26(5)20-28(7)38-27(6)19-23(2)15-16-31(48-35-21-33(42)37(45)30(9)47-35)14-12-11-13-24(3)39-25(4)17-18-40(46,50-39)22-34(43)49-38/h13,15-17,23,26-31,33,35-39,42,44-46H,10-12,14,18-22H2,1-9H3/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,40+/m0/s1
InChI key: VIOYQVOQUWWSAB-ILYXGRNWSA-N
SMILES: CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)C(=CCCC[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)C=C[C@H](C)C[C@H]1C)C
Systematic name  (3):
  • ベンツリシジンB
  • (1R,5S,6R,8R,11R,17R)-11-{[(2R,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-1-ヒドロキシ-5-[(2R,4R,5S,6S)-5-ヒドロキシ-4,6-ジメチル-7-オキソノナン-2-イル]-6,8,16,18-テトラメチル-4,21-ジオキサビシクロ[15.3.1]ヘンイコサ-9,15,18-トリエン-3-オン
  • (1R,5S,6R,8R,11R,17R)-11-{[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-1-hydroxy-5-[(2R,4R,5S,6S)-5-hydroxy-4,6-dimethyl-7-oxononan-2-yl]-6,8,16,18-tetramethyl-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-3-one
Other name (3):
  • Venturicidin B
  • アアボマイシンA2
  • Aabomycin A2
CAS registry number: 33538-72-6
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