Molecule ID: 5321779

IUPAC Name: [(1S,3S,5S,8S,10S,14S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate

Description: The molecule is a taxane diterpenoid that is taxa-4(20),11-diene in which the 5alpha hydrogen has been replaced by an acetoxy group and the 10beta and 14beta hydrogens by hydroxy groups.

SMILES: C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](O)[C@@H](C[C@H]12)C3(C)C

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

InChI: InChI=1S/C22H34O4/c1-12-9-17(24)16-10-15-13(2)19(26-14(3)23)7-8-22(15,6)11-18(25)20(12)21(16,4)5/h15-19,24-25H,2,7-11H2,1,3-6H3/t15-,16-,17+,18+,19+,22+/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 2.4