input word = C00060200

Metabolite InformationStructural formula
Name [1S-(1alpha,3beta,4abeta,5beta,6beta,8beta,11alpha,12beta,12aalpha)]-1,3,4,4a,5,7,8,11,12,12a-Decahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecene-1,3,5,6,8,11,12(2H)-heptol, 1,5,8,11,12-pentaacetate
Formula C30H42O12
Mw 594.26762681
CAS RN 161956-27-0
C_ID C00060200
InChIKey ZXWPQDIJLNDZCL-CDWSEZNBSA-N
InChICode InChI=1S/C30H42O12/c1-13-20(36)11-22(39-16(4)32)29(10)24(13)26(41-18(6)34)30(37)12-21(38-15(3)31)14(2)23(28(30,8)9)25(40-17(5)33)27(29)42-19(7)35/h20-22,24-27,36-37H,1,11-12H2,2-10H3/t20-,21-,22-,24-,25+,26-,27-,29+,30+/m0/s1
SMILES C=C1C(O)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3=C(C)C(OC(C)=O)CC(O)(C(OC(C)=O)C12)C3(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeTaxus baccata Ref.
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