Chem
J-GLOBAL ID:200907097657068954   Nikkaji number:J1.317.013D

Macrocalin B

マクロカリン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: C20H26O6
Molecular formula furigana: C20-H26-O6
Molecular weight: 362.422
InChI: InChI=1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11?,12+,14-,15-,16-,18+,19+,20+/m0/s1
InChI key: GSRZMSWBSLHHAD-XMHCLGOUSA-N
SMILES: CC1(C)CCC[C@@]23[C@H]4O[C@H]5[C@H]6C[C@H](O)[C@@H]2[C@]5(C(=O)C6=C)[C@](O)(O4)[C@@H](O)[C@H]13
Systematic name  (3):
  • (14S,20S)-6β,7,11β-トリヒドロキシ-7α,20:14,20-ジエポキシカウラ-16-エン-15-オン
  • (1R,2S,3S,5S,8S,9S,11S,13S,14S,15R)-3,13,14-トリヒドロキシ-16,16-ジメチル-6-メチリデン-10,12-ジオキサヘキサシクロ[9.8.0.01,15.02,8.05,9.08,13]ノナデカン-7-オン
  • (1R,2S,3S,5S,8S,9S,11S,13S,14S,15R)-3,13,14-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
Other name (3):
  • (14S,20S)-6β,7,11β-Trihydroxy-7α,20:14,20-diepoxykaura-16-ene-15-one
  • マクロカリンB
  • Macrocalin B
CAS registry number: 93781-75-0
Thsaurus map:

Return to Previous Page