Chem
J-GLOBAL ID：200907031297392720   Nikkaji number：J705.976K

(9β,23R,24R)-3β-(β-D-Xylopyranosyloxy)-9,19-cyclo-16,23-epoxylanostane-7β,15α,16,24,25-pentaol 24-acetate

(9β,23R,24R)-3β-(β-D-キシロピラノシルオキシ)-9,19-シクロ-16,23-エポキシラノスタン-7β,15α,16,24,25-ペンタオール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： C37H60O12
Molecular formula furigana： C37-H60-O12
Molecular weight： 696.875
InChI： InChI=1S/C37H60O12/c1-17-13-21(28(32(5,6)44)47-18(2)38)49-37(45)26(17)33(7)11-12-36-16-35(36)10-9-23(48-29-25(42)24(41)20(40)15-46-29)31(3,4)22(35)14-19(39)27(36)34(33,8)30(37)43/h17,19-30,39-45H,9-16H2,1-8H3/t17-,19+,20-,21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,33-,34-,35-,36+,37?/m1/s1
InChI key： PIKWFNMVRUJSSK-BXVAIWBMSA-N
SMILES： C[C@@H]1C[C@@H](OC2(O)[C@H](O)[C@@]3(C)[C@@H]4[C@@H](O)C[C@@H]5[C@]6(C[C@@]46CC[C@]3(C)[C@@H]12)CC[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C5(C)C)[C@@H](OC(=O)C)C(C)(C)O
Systematic name  (3)：
  • (9β,23R,24R)-3β-(β-D-キシロピラノシルオキシ)-9,19-シクロ-16,23-エポキシラノスタン-7β,15α,16,24,25-ペンタオール24-アセタート
  • (1R)-2-ヒドロキシ-2-メチル-1-[(1S,4R,5R,6R,8R,11R,12S,13R,14S,16R,18S,21R)-10,11,14-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
  • (1R)-2-hydroxy-2-methyl-1-[(1S,4R,5R,6R,8R,11R,12S,13R,14S,16R,18S,21R)-10,11,14-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,24R)-3β-(β-D-Xylopyranosyloxy)-9,19-cyclo-16,23-epoxylanostane-7β,15α,16,24,25-pentaol 24-acetate
Thsaurus map：
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