Chem
J-GLOBAL ID:200907078431796740   Nikkaji number:J1.062.216F

Calcicolin B

カルシコリン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: C24H32O8
Molecular formula furigana: C24-H32-O8
Molecular weight: 448.512
InChI: InChI=1S/C24H32O8/c1-10-13-7-14(31-11(2)25)18-23(6)16(28)8-15(27)22(4,5)19(23)17(29)21(32-12(3)26)24(18,9-13)20(10)30/h13-16,18-19,21,27-28H,1,7-9H2,2-6H3/t13-,14+,15+,16+,18+,19-,21+,23+,24+/m1/s1
InChI key: VPHPJXZKYUHFDK-AIWHPTMGSA-N
SMILES: CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(=O)C)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](O)[C@@]4(C)[C@H]13)C(=O)C2=C
Systematic name  (4):
  • 1α,3β-ジヒドロキシ-7β,11β-ジアセトキシカウラ-16-エン-6,15-ジオン
  • 6,15-ジオキソカウラ-16-エン-1α,3β,7β,11β-テトラオール7,11-ジアセタート
  • (1R,2R,4R,6S,8S,9S,10S,11S,13S)-2-(アセチルオキシ)-6,8-ジヒドロキシ-5,5,9-トリメチル-14-メチリデン-3,15-ジオキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-11-イル アセタート
  • (1R,2R,4R,6S,8S,9S,10S,11S,13S)-2-(acetyloxy)-6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxotetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl acetate
Other name (4):
  • 1α,3β-Dihydroxy-7β,11β-diacetoxykaura-16-ene-6,15-dione
  • Calcicolin B
  • カルシコリンB
  • 6,15-Dioxokaura-16-ene-1α,3β,7β,11β-tetraol 7,11-diacetate
CAS registry number: 220997-67-1
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