(-)-Oligomycin C

CAS Registry Number®

11052-72-5
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CAS Name

(-)-Oligomycin C

Molecular Formula

C45H74O10

Molecular Mass

775.06

Cite this Page

(-)-Oligomycin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11052-72-5 (retrieved 2024-06-16) (CAS RN: 11052-72-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,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-,37-,39-,40+,43-,44+,45-/m0/s1

InChIKey

InChIKey=CMMLZMMKTYEOKV-WJDWZRIPSA-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@@H](C)[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(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-7,11,15-trihydroxy-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,11S,12S,14S,15S,16R,18E,20E,22R,25S,28S,29R)-
  • Oligomycin C
  • Oligomycin A, 12-deoxy-
  • 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,11S,12S,14S,15S,16R,18E,20E,22R,25S,28S,29R)-22-Ethyl-3′,4′,5′,6′-tetrahydro-7,11,15-trihydroxy-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

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