Gambieric acid A

CAS Registry Number®

138434-64-7

CAS Name

Gambieric acid A

Molecular Formula

C59H92O16

Molecular Mass

1057.35

Cite this Page

Gambieric acid A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138434-64-7 (retrieved 2024-11-26) (CAS RN: 138434-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32-,34-,35+,36-,37+,38+,39-,40+,41-,42+,43-,44+,45+,46+,47+,48+,49-,50-,52+,53-,54+,55-,56-,57-,58+,59-/m1/s1

InChIKey

InChIKey=MSZMCMVREIGRAG-FKAXGPHESA-N

SMILES

O[C@@H]1[C@@]2([C@@](O[C@]3([C@@]1(C)O[C@]4([C@](C3)(O[C@]5([C@@](O[C@@]6(C)[C@](CC5)(O[C@]7([C@](C)(C6)O[C@]8([C@](C7)(O[C@H](C[C@@H](C[C@H]9O[C@]([C@H](CC(O)=O)C)([C@H](C)C9)[H])O)[C@@H](O)CC8)[H])[H])[H])[H])(C/C=C\[C@H]4C)[H])[H])[H])[H])[H])(C[C@]%10(C)[C@@](O2)(CC(=C)[C@H](C/C(=C/[C@H](CO)C)/C)O%10)[H])[H])[H]

Canonical SMILES

O=C(O)CC(C)C1OC(CC(O)CC2OC3CC4OC5CCC6OC7CC8OC9CC%10(OC(C(=C)CC%10OC9C(O)C8(OC7C(C=CCC6OC5(C)CC4(OC3CCC2O)C)C)C)CC(=CC(C)CO)C)C)CC1C

Other Names for this Substance

  • Gambieric acid A
  • 2-Furanpropanoic acid, 5-[(2R)-3-[(2R,4aR,5aS,6S,6aR,7aS,8S,9Z,11aR,12aS,13aR,14aS,17R,18S,19aR,20aS,21aR,23aS,24aR,25aS,26aR,27aS,)-2,3,4,4a,5a,6,6a,7a,8,11,11a,12a,13,13a,14a,15,16,17,18,19a,20,20a,21a,22,23,23a,24a,25,25a,26a,27,27a-dotriacontahydro-6,17-dihydroxy-2-[(2E,4R)-5-hydroxy-2,4-dimethyl-2-pentenyl]-6a,8,12a,13a,27a-pentamethyl-3-methyleneoxepino[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:6,7]oxepino[3,2-b]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-h]oxonin-18-yl]-2-hydroxypropyl]tetrahydro-β,3-dimethyl-, (βS,2S,3R,5S)-
  • Oxepino[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:6,7]oxepino[3,2-b]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-h]oxonin, 2-furanpropanoic acid deriv.
  • (+)-Gambieric Acid A

CAS INSIGHTSTM
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