TPCN03273

Name 4??,5??-dihydroxyovatodiolide;4b,5b-dihydroxyovatodiolide
Molecular Formula C20H26O6
Molecular Weight 362.42
CAS Registry Number 2363062-78-4
SMILES C=C1C(=O)OC2C=C(C)CC3C=C(CCC(O)C(C)(O)CCC12)C(=O)O3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Anisomeles indica Aerial parts 0.001389% Nat Prod Res, 1-9 (2019). 10.1080/14786419.2019.1586692
Lamiaceae Anisomeles indica Aerial parts 0.001389% Natural Product Research, 34(19), 2737-2745 10.1080/14786419.2019.1586692
Properties
HBA 6 HBD 2
HeavyAtoms 26 AlogP 1.96
TPSA 93.06 RotatableBonds 0
FractionCSP3 0.60 Rings 3
AromaticRings 0 AliphaticRings 3