NCS
China New Chemical Substance Search
Kirenol
奇任醇, 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α-(hydroxymethyl)-1,4a,7-trimethyl-, (αR,1R,3S,4aS,4bR,7S,10aS)-, Kirel, (2β,5β,9β,10α,13α,15R)-Pimar-8(14)-ene-2,15,16,18-tetrol
CAS Number: 52659-56-0
IUPAC name: (1R)-1-[(2S,4aR,4bS,6S,8R,8aS)-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]ethane-1,2-diol
Molecular formula: C20H34O4
Molecular weight: 338.482
InChI: InChI=1S/C20H34O4/c1-18(17(24)11-21)7-6-15-13(8-18)4-5-16-19(2,12-22)9-14(23)10-20(15,16)3/h8,14-17,21-24H,4-7,9-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+/m1/s1
InChIKey: NRYNTARIOIRWAB-JPDRSCFKSA-N
SMILES: -
EINECS: C[C@@]1(CC[C@@H]2C(=C1)CC[C@H]3[C@]2(C[C@@H](C[C@@]3(C)CO)O)C)[C@H](CO)O
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