Helvolic acid

CAS Registry Number®

29400-42-8
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CAS Name

Helvolic acid

Molecular Formula

C33H44O8

Molecular Mass

568.70

Cite this Page

Helvolic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29400-42-8 (retrieved 2024-05-17) (CAS RN: 29400-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1

InChIKey

InChIKey=MDFZYGLOIJNNRM-OAJDADRGSA-N

SMILES

C[C@@]12[C@]3(C)[C@](/C(=C(\CCC=C(C)C)/C(O)=O)/[C@@H](OC(C)=O)C3)(CC[C@]1([C@]4(C)[C@@]([C@H](OC(C)=O)C2=O)([C@H](C)C(=O)C=C4)[H])[H])[H]

Canonical SMILES

O=C(O)C(=C1C(OC(=O)C)CC2(C)C1CCC3C4(C=CC(=O)C(C)C4C(OC(=O)C)C(=O)C32C)C)CCC=C(C)C

Other Names for this Substance

  • 29-Nordammara-1,17(20),24-trien-21-oic acid, 6,16-bis(acetyloxy)-3,7-dioxo-, (4α,6β,8α,9β,13α,14β,16β,17Z)-
  • Helvolic acid
  • (4α,6β,8α,9β,13α,14β,16β,17Z)-6,16-Bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oic acid
  • (Z)-6β,16β-Dihydroxy-3,7-dioxo-29-nor-8α,9β,13α,14β-dammara-1,17(20),24-trien-21-oic acid diacetate
  • Fumigacin

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Deleted or Replaced CAS Registry Numbers

1403-63-0

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