CAS Registry Number®
52659-56-0
CAS Name
Kirenol
Molecular Formula
C20H34O4
Molecular Mass
338.48
Compound Properties
-
Melting Point (1)
201-202 °C
Source(s)
- (1) Gao, Hui; Zhongcaoyao, (2002), 33(6), 495-496, CAplus
Other Names and Identifiers
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
InChIKey=NRYNTARIOIRWAB-JPDRSCFKSA-N
SMILES
C[C@]12[C@]3(C(=C[C@]([C@H](CO)O)(C)CC3)CC[C@@]1([C@@](CO)(C)C[C@@H](O)C2)[H])[H]
Canonical SMILES
OCC(O)C1(C=C2CCC3C(C)(CO)CC(O)CC3(C)C2CC1)C
Other Names for this Substance
- 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, (α7R,1R,3S,4aS,4bR,7S,10aS)-
- 1,7-Phenanthrenedimethanol, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-, [1R-[1α,3β,4aα,4bβ,7α(R*),10aβ]]-
- (α7R,1R,3S,4aS,4bR,7S,10aS)-1,2,3,4,4a,4b,5,6,7,9,10,10a-Dodecahydro-3-hydroxy-α7-(hydroxymethyl)-1,4a,7-trimethyl-1,7-phenanthrenedimethanol
- Kirenol
