Chem
J-GLOBAL ID:200907026746744756   Nikkaji number:J1.851.163K

(13R,17R,20S,24R)-17,25-Dihydroxy-20,24-epoxymalabarica-14(30)-ene-3-one

(13R,17R,20S,24R)-17,25-ジヒドロキシ-20,24-エポキシマラバリカ-14(30)-エン-3-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: C30H50O4
Molecular formula furigana: C30-H50-O4
Molecular weight: 474.726
InChI: InChI=1S/C30H50O4/c1-19(9-12-24(32)30(8)18-15-25(34-30)27(4,5)33)20-10-11-22-28(20,6)16-13-21-26(2,3)23(31)14-17-29(21,22)7/h20-22,24-25,32-33H,1,9-18H2,2-8H3/t20-,21+,22+,24-,25-,28+,29+,30+/m1/s1
InChI key: SBYBESQWVAOXTK-ZLBCXZKWSA-N
SMILES: CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H](O)CCC(=C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)C(=O)CC[C@]21C
Systematic name  (3):
  • (13R,17R,20S,24R)-17,25-ジヒドロキシ-20,24-エポキシマラバリカ-14(30)-エン-3-オン
  • (3R,3aS,5aR,9aR,9bS)-3-[(5R)-5-ヒドロキシ-5-[(2S,5R)-5-(2-ヒドロキシプロパン-2-イル)-2-メチルオキソラン-2-イル]ペンタ-1-エン-2-イル]-3a,6,6,9a-テトラメチル-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-7-オン
  • (3R,3aS,5aR,9aR,9bS)-3-[(5R)-5-hydroxy-5-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-1-en-2-yl]-3a,6,6,9a-tetramethyl-dodecahydro-1H-cyclopenta[a]naphthalen-7-one
Other name (1):
  • (13R,17R,20S,24R)-17,25-Dihydroxy-20,24-epoxymalabarica-14(30)-ene-3-one
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