Oligomycin A
CAS Registry Number®
CAS Name
Oligomycin AMolecular Formula
C45H74O11Molecular Mass
791.06Cite this Page
Oligomycin A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=579-13-5 (retrieved ) (CAS RN: 579-13-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
140-141 °CDensity (2)
1.116 g/cm³
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13-,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1
InChIKey
InChIKey=MNULEGDCPYONBU-UQFNUYRPSA-N
SMILES
C[C@@H]1[C@@]2(O[C@@]3([C@@H](C)[C@]1(OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@](C)(O)[C@@H](O)[C@H](C)C/C=C\C=C\[C@H](CC)CC3)[H])[H])O[C@@H](C[C@@H](C)O)[C@@H](C)CC2
Canonical SMILES
O=C1OC2C(C)C(OC3(OC(CC(O)C)C(C)CC3)C2C)CCC(C=CC=CCC(C)C(O)C(O)(C(=O)C(C)C(O)C(C(=O)C(C)C(O)C(C=C1)C)C)C)CC
Other Names for this Substance
- Spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2′-[2H]pyran]-3,9,13-trione, 22-ethyl-3′,4′,5′,6′-tetrahydro-7,11,14,15-tetrahydroxy-6′-[(2R)-2-hydroxypropyl]-5′,6,8,10,12,14,16,28,29-nonamethyl-, (1R,2′R,4E,5′S,6S,6′S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-
- Oligomycin A
- Spiro[2,26-dioxabicyclo[23.3.1]nonacosane-27,2′-[2H]pyran], oligomycin A deriv.
- (1R,2′R,4E,5′S,6S,6′S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,28S,29R)-22-Ethyl-3′,4′,5′,6′-tetrahydro-7,11,14,15-tetrahydroxy-6′-[(2R)-2-hydroxypropyl]-5′,6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2′-[2H]pyran]-3,9,13-trione
- MCH 32
Deleted or Replaced CAS Registry Numbers
11030-76-5, 21307-25-5, 31422-20-5, 1255037-37-6