Chemistry:Decinnamoyltaxinine J

Short description: Chemical compound

Decinnamoyltaxinine J

Names
IUPAC name 5α-Hydroxytaxa-4(20),11-diene-2α,7β,9α,10β,13α-pentayl pentaacetate
Systematic IUPAC name (1S,3S,4aR,5R,6R,8S,11R,12R,12aS)-3-Hydroxy-9,12a,13,13-tetramethyl-4-methylidene-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-methanobenzo[10]annulene-1,5,8,11,12-pentayl pentaacetate
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL312298
ChemSpider	23168598
PubChem CID	14446187
InChI InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1 Key: NTRHFSRAAXRZLC-FJANQRQLSA-N InChI=1/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1 Key: NTRHFSRAAXRZLC-FJANQRQLBN
SMILES CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C
Properties
Chemical formula	C30H42O11
Molar mass	578.655 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

Decinnamoyltaxinine J is a taxane isolate derived from Taxus brevifolia.