Chem
J-GLOBAL ID：200907004318158741   Nikkaji number：J705.979E

(9β,23R,24S)-3β-(β-D-Xylopyranosyloxy)-25-methoxy-9,19-cyclo-16,23-epoxylanostane-1α,15α,16,24-tetraol 24-acetate

(9β,23R,24S)-3β-(β-D-キシロピラノシルオキシ)-25-メトキシ-9,19-シクロ-16,23-エポキシラノスタン-1α,15α,16,24-テトラオール24-アセタート
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： C38H62O12
Molecular formula furigana： C38-H62-O12
Molecular weight： 710.902
InChI： InChI=1S/C38H62O12/c1-18-14-21(29(48-19(2)39)33(5,6)46-9)50-38(45)28(18)34(7)12-13-36-17-37(36)22(10-11-23(36)35(34,8)31(38)44)32(3,4)25(15-24(37)41)49-30-27(43)26(42)20(40)16-47-30/h18,20-31,40-45H,10-17H2,1-9H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,31-,34-,35-,36+,37-,38?/m1/s1
InChI key： CDVLNJHGGOFODI-PUMPIAJESA-N
SMILES： COC(C)(C)[C@@H](OC(=O)C)[C@H]1C[C@@H](C)[C@@H]2[C@@]3(C)CC[C@@]45C[C@]64[C@@H](O)C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]6CC[C@H]5[C@]3(C)[C@@H](O)C2(O)O1
Systematic name  (3)：
  • (9β,23R,24S)-3β-(β-D-キシロピラノシルオキシ)-25-メトキシ-9,19-シクロ-16,23-エポキシラノスタン-1α,15α,16,24-テトラオール24-アセタート
  • (1S)-2-メトキシ-2-メチル-1-[(1S,4R,5R,6R,8R,11R,12S,13R,16S,18S,20S,21S)-10,11,20-トリヒドロキシ-4,6,12,17,17-ペンタメチル-18-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-9-オキサヘキサシクロ[11.9.0.01,21.04,12.05,10.016,21]ドコサン-8-イル]プロピル アセタート
  • (1S)-2-methoxy-2-methyl-1-[(1S,4R,5R,6R,8R,11R,12S,13R,16S,18S,20S,21S)-10,11,20-trihydroxy-4,6,12,17,17-pentamethyl-18-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]propyl acetate
Other name (1)：
  • (9β,23R,24S)-3β-(β-D-Xylopyranosyloxy)-25-methoxy-9,19-cyclo-16,23-epoxylanostane-1α,15α,16,24-tetraol 24-acetate
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