Xylopic acid
CAS Registry Number®
6619-97-2
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CAS Name
Xylopic acidMolecular Formula
C22H32O4Molecular Mass
360.49Cite this Page
Xylopic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6619-97-2 (retrieved ) (CAS RN: 6619-97-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
265-266 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18-,20-,21-,22-/m1/s1
InChIKey
InChIKey=AQBQBBLJTDSVLC-XNAIKIDQSA-N
SMILES
O(C(C)=O)[C@H]1[C@]23[C@]([C@@]4(C)[C@](CC2)([C@@](C(O)=O)(C)CCC4)[H])(CC[C@](C3)(C1=C)[H])[H]
Canonical SMILES
O=C(OC1C(=C)C2CCC3C4(C)CCCC(C(=O)O)(C)C4CCC13C2)C
Other Names for this Substance
- Kaur-16-en-18-oic acid, 15-(acetyloxy)-, (4α,15β)-
- Kaur-16-en-18-oic acid, 15β-hydroxy-, acetate
- 1H-2,10a-Ethanophenanthrene, kaur-16-en-18-oic acid deriv.
- (4α,15β)-15-(Acetyloxy)kaur-16-en-18-oic acid
- Xylopic acid
