Platanic acid

CAS Registry Number®

6060-06-6
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CAS Name

Platanic acid

Molecular Formula

C29H46O4

Molecular Mass

458.67

Cite this Page

Platanic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6060-06-6 (retrieved 2024-08-18) (CAS RN: 6060-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-286 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H46O4/c1-17(30)18-9-14-29(24(32)33)16-15-27(5)19(23(18)29)7-8-21-26(4)12-11-22(31)25(2,3)20(26)10-13-28(21,27)6/h18-23,31H,7-16H2,1-6H3,(H,32,33)/t18-,19+,20-,21+,22-,23+,26-,27+,28+,29-/m0/s1

InChIKey

InChIKey=RVMPLOSJMIQORE-FUAAEJBOSA-N

SMILES

C(O)(=O)[C@]12[C@@]([C@@]3([C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])[H])([C@H](C(C)=O)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C(=O)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • 30-Norlupan-28-oic acid, 3-hydroxy-20-oxo-, (3β)-
  • 30-Norlupan-28-oic acid, 3β-hydroxy-20-oxo-
  • 3aH-Cyclopenta[a]chrysene, 30-norlupan-28-oic acid deriv.
  • (3β)-3-Hydroxy-20-oxo-30-norlupan-28-oic acid
  • Platanic acid

Deleted or Replaced CAS Registry Numbers

1192133-32-6