Chem
J-GLOBAL ID:200907050541847615   Nikkaji number:J34.194K

Gibberethione

ジベレチオン
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: C22H24O9S
Molecular formula furigana: C22-H24-O9-S
Molecular weight: 464.490
InChI: InChI=1S/C22H24O9S/c1-8-5-18-6-19(8,27)4-3-9(18)21-11(10(18)14(23)24)17(2,15(25)30-21)22(29)12-13(21)32-7-20(12,28)16(26)31-22/h9-13,27-29H,1,3-7H2,2H3,(H,23,24)/t9-,10-,11-,12-,13-,17-,18+,19+,20-,21-,22+/m1/s1
InChI key: XKGWNJWJFUEJFP-KTUBONRZSA-N
SMILES: C[C@@]12[C@H]3[C@H](C(=O)O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)[C@@H]1SC[C@@]3(O)[C@@H]1[C@]2(O)OC3=O
Systematic name  (3):
  • (2aR,5S,5aα,11aα,11cβ,11dβ)-2a,4a,5,5a,6,7,8,9,10,11,11a,11b,11c,11d-テトラデカヒドロ-2a,4aβ,9-トリヒドロキシ-5-メチル-8-メチレン-3,13-ジオキソ-11bβ,5β-(エポキシメタノ)-6aβ,9β-メタノ-2H-アズレノ[1,2-f]チエノ[4,3,2-cd]ベンゾフラン-6α-カルボン酸
  • (1R,2R,5S,8S,9S,10R,11S,12S,15R,18R,21R)-5,12,15-トリヒドロキシ-11-メチル-6-メチリデン-14,20-ジオキソ-13,19-ジオキサ-17-チアヘプタシクロ[9.7.2.15,8.112,15.01,10.02,8.018,21]ドコサン-9-カルボン酸
  • (1R,2R,5S,8S,9S,10R,11S,12S,15R,18R,21R)-5,12,15-trihydroxy-11-methyl-6-methylidene-14,20-dioxo-13,19-dioxa-17-thiaheptacyclo[9.7.2.15,8.112,15.01,10.02,8.018,21]docosane-9-carboxylic acid
Other name (6):
  • ジベレチオン
  • ファルビット酸
  • ファルビチン酸
  • Gibberethione
  • Pharbitic acid
Show all
CAS registry number: 55038-29-4
Thsaurus map:

Return to Previous Page