Chemistry:Berkeleytrione

Berkeleytrione

Names
Preferred IUPAC name Methyl (1R,6aS,7R,9S,11R,12aR,12bS)-1,9,10-trihydroxy-4,4,6a,9,11,12b-hexamethyl-3,8-dioxo-1,3,4,6,6a,8,9,10,11,12,12a,12b-dodecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate
Identifiers
3D model (JSmol)	Interactive image
ChEBI	CHEBI:69022
ChEMBL	ChEMBL252716
ChemSpider	10193090
PubChem CID	21580418
InChI InChI=1S/C26H34O7/c1-13-22(4)12-15-23(5,26(13,20(31)33-8)19(30)25(7,32)18(22)29)10-9-14-21(2,3)16(27)11-17(28)24(14,15)6/h9,15,17,28,32H,1,10-12H2,2-8H3/t15-,17-,22-,23+,24-,25+,26+/m1/s1 Key: BNDPVNXDSQOTOY-OKCDOLPESA-N InChI=1/C26H34O7/c1-13-22(4)12-15-23(5,26(13,20(31)33-8)19(30)25(7,32)18(22)29)10-9-14-21(2,3)16(27)11-17(28)24(14,15)6/h9,15,17,28,32H,1,10-12H2,2-8H3/t15-,17-,22-,23+,24-,25+,26+/m1/s1 Key: BNDPVNXDSQOTOY-OKCDOLPEBK
SMILES C[C@]12CC=C3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)([C@@H](CC(=O)C3(C)C)O)C
Properties
Chemical formula	C26H34O7
Molar mass	458.551 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Tracking categories (test):

• SizeSet

Berkeleytrione is a bio-active fungal isolate from the Berkeley Pit.