Name: Crustecdysone
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HIT ID:HIT103895722
Cas No:5289-74-7
Common Name:Crustecdysone
alias:Hydroxyecdysone, Ecdysterone, Commisterone, B-ecdysone, 20-Hydroxyecdysone
alias:Hydroxyecdysone, Ecdysterone, Commisterone, B-ecdysone, 20-Hydroxyecdysone
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
IUPAC:(1S,3aS,5aR,7R,8S,9aR,9bR,11aR)-3a,7,8-trihydroxy-9a,11a-dimethyl-1-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
InChIKey:NKDFYOWSKOHCCO-YPVLXUMRSA-N

Molecular Formula:C27H44O7
Molecular Weight:480.642
Hydrogen Bond Donor (HBD):6
Hydrogen Bond Acceptor (HBA):7
LogP:-1.247000000000000e+000
SMILES:CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |t:16|
SMILES:CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C |t:16|

Crustecdysone (Hydroxyecdysone) is a steroid hormone that regulates the processes of molting or ecdysis in insects.

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