Molecule ID: 14165900

IUPAC Name: (1R,3S,11R,14R)-3,14-dimethyl-10-methylidene-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-6-ene

Description: The molecule is a diterpene that has a dicyclopenta[a,d]cyclooctane skeleton containing a double bond at the 6a-7 position and which is substituted by methyl groups at positions 1 and 9a, a methylene group at position 4 and an isopropyl group at position 7 (the 1R,3aR,9aS,10aR isomer). A precursor for sordaricin, the aglycone of sodarin found in Sordaria araneosa. It has a role as a fungal metabolite. It is a diterpene, an organic tricyclic compound and an olefinic compound.

SMILES: C=C1CCC2=C(C(C)C)CC[C@@]2(C)C[C@@H]2[C@H](C)CC[C@@H]12

SELFIES: [C][=C][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C@@][Ring1][Branch2][Branch1][C][C][C][C@@H1][C@H1][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][Ring1][Ring1][=Branch1]

InChI: InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13,15,17-18H,3,6-12H2,1-2,4-5H3/t15-,17+,18-,20+/m1/s1

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 5.8