Gambierol

CAS Registry Number®

146763-62-4
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CAS Name

Gambierol

Molecular Formula

C43H64O11

Molecular Mass

756.96

Cite this Page

Gambierol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=146763-62-4 (retrieved 2024-05-17) (CAS RN: 146763-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-/m0/s1

InChIKey

InChIKey=GKLILONDTZZKRF-IDJCTBPMSA-N

SMILES

C[C@@]12[C@](C[C@@]3([C@@](C)(O1)[C@@H](O)C[C@H](CCCO)O3)[H])(O[C@]4([C@](C2)(O[C@]5([C@](C4)(O[C@@]6(C)[C@](CC5)(O[C@]7([C@](C)(C6)O[C@]8([C@](C7)(O[C@H](\C=C/C=C\CC=C)[C@@](C)(O)C=C8)[H])[H])[H])[H])[H])[H])[H])[H])[H]

Canonical SMILES

OCCCC1OC2CC3OC4CC5OC6(C)CC7(OC8C=CC(O)(C)C(OC8CC7OC6CCC5OC4CC3(OC2(C)C(O)C1)C)C=CC=CCC=C)C

Other Names for this Substance

  • Oxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-f]oxepin-4,14-diol, 13-(1Z,3Z)-1,3,6-heptatrien-1-yl-2,3,4,4a,5a,6,6a,7a,8,9,9a,10a,11,11a,13,14,16a,17a,18,18a,19a,20,20a,21a,22,22a-hexacosahydro-2-(3-hydroxypropyl)-4a,5a,14,17a,18a-pentamethyl-, (2S,4S,4aS,5aR,6aS,7aR,9aS,10aR,11aS,13R,14S,16aR,17aS,18aR,19aS,20aR,21aS,22aR)-
  • Oxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-f]oxepin-4,14-diol, 13-(1Z,3Z)-1,3,6-heptatrienyl-2,3,4,4a,5a,6,6a,7a,8,9,9a,10a,11,11a,13,14,16a,17a,18,18a,19a,20,20a,21a,22,22a-hexacosahydro-2-(3-hydroxypropyl)-4a,5a,14,17a,18a-pentamethyl-, (2S,4S,4aS,5aR,6aS,7aR,9aS,10aR,11aS,13R,14S,16aR,17aS,18aR,19aS,20aR,21aS,22aR)-
  • (2S,4S,4aS,5aR,6aS,7aR,9aS,10aR,11aS,13R,14S,16aR,17aS,18aR,19aS,20aR,21aS,22aR)-13-(1Z,3Z)-1,3,6-Heptatrien-1-yl-2,3,4,4a,5a,6,6a,7a,8,9,9a,10a,11,11a,13,14,16a,17a,18,18a,19a,20,20a,21a,22,22a-hexacosahydro-2-(3-hydroxypropyl)-4a,5a,14,17a,18a-pentamethyloxepino[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[2,3-f]oxepin-4,14-diol
  • Gambierol
  • (-)-Gambierol

CAS INSIGHTSTM
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