Chem
J-GLOBAL ID:200907051592297241   Nikkaji number:J417.859I

Hebevinoside III

ヘベビノシドIII
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: C43H70O13
Molecular formula furigana: C43-H70-O13
Molecular weight: 795.020
InChI: InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-36(51)34(49)33(48)29(55-39)20-52-23(4)44)18-43(9)37-26(45)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-35(50)32(47)27(46)19-53-38/h11,17,22,24,26-39,45-51H,10,12-16,18-20H2,1-9H3/t22-,24-,26+,27-,28+,29-,30+,31+,32+,33-,34+,35-,36-,37-,38+,39-,41+,42-,43+/m1/s1
InChI key: ZSGIZQTTWRMUOQ-ZSFDVCMRSA-N
SMILES: C[C@H](CCC=C(C)C)[C@H]1[C@H](C[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C)O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • [3β-(β-D-キシロピラノシルオキシ)-7β-ヒドロキシククルビタ-5,24-ジエン-16β-イル]6-O-アセチル-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6R)-6-{[(1R,2S,3aS,3bR,4S,7S,9aS,9bS,11aR)-4-ヒドロキシ-3a,6,6,9b,11a-ペンタメチル-1-[(2R)-6-メチルヘプタ-5-エン-2-イル]-7-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6R)-6-{[(1R,2S,3aS,3bR,4S,7S,9aS,9bS,11aR)-4-hydroxy-3a,6,6,9b,11a-pentamethyl-1-[(2R)-6-methylhept-5-en-2-yl]-7-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Other name (3):
  • ヘベビノシドIII
  • Hebevinoside III
  • [3β-(β-D-Xylopyranosyloxy)-7β-hydroxycucurbita-5,24-dien-16β-yl]6-O-acetyl-β-D-glucopyranoside
CAS registry number: 89203-39-4
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