(1R,3R,11R,16R,17R,20S,21R,23S,24R,25R,28S,29S,30R)-24-hydroxy-11-[(1S)-1-hydroxyethyl]-25-methoxy-23,30-dimethyl-13,14-dithia-10-azaoctacyclo[18.10.1.1⁵,⁹.0¹,¹⁷.0³,¹⁶.0²¹,²⁹.0²³,³⁰.0²⁴,²⁸]dotriaconta-5,7,9(32)-trien-27-one
AlkaPlorer ID: AK518668
Synonym: None
IUPAC Name: 24-hydroxy-11-(1-hydroxyethyl)-25-methoxy-23,30-dimethyl-13,14-dithia-10-azaoctacyclo[18.10.1.15,9.01,17.03,16.021,29.023,30.024,28]dotriaconta-5(32),6,8-trien-27-one
Structure
SMILES: COC1CC(=O)C2C3C4CC(C)(C12O)C3(C)C12CC3CC5=CC(=CC=C5)NC(C(C)O)CSSCC3C1CCC4C2
InChI: InChI=1S/C34H47NO4S2/c1-18(36)26-17-41-40-16-24-21(10-19-6-5-7-22(11-19)35-26)14-33-13-20(8-9-25(24)33)23-15-31(2)32(33,3)29(23)30-27(37)12-28(39-4)34(30,31)38/h5-7,11,18,20-21,23-26,28-30,35-36,38H,8-10,12-17H2,1-4H3
InChIKey: RZJVIQQDROCCFS-UHFFFAOYSA-N
Reference
Bioactive <i>ent</i>-Kaurane Diterpenoids from <i>Isodon rosthornii</i>
PubChem CID: 163163874
COCONUT: CNP0466476.1
Source
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Properties Information
Molecule Weight: 597.887
TPSA？: 78.79
MolLogP？: 5.835200000000007
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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