β-isorenieratene
Chemical Formula:
C40H52
Molecular Weight:
532.851 Daltons
Monoisotopic Mass:
532.4069016692 Daltons
SMILES:
CC(C=CC=C(C=CC1(=C(C)C(C)=CC=C1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C
InChI:
1S/C40H52/c1-30(18-13-20-32(3)23-27-38-35(6)26-25-34(5)37(38)8)16-11-12-17-31(2)19-14-21-33(4)24-28-39-36(7)22-15-29-40(39,9)10/h11-14,16-21,23-28H,15,22,29H2,1-10H3/b12-11+,18-13+,19-14+,27-23+,28-24+,30-16+,31-17+,32-20+,33-21+
InChIKey:
Databases
MetaCyc:
CPD-20626
ChEBI:
80461
KEGG:
C16340
PubChem (CID):
10098571