Secoorthosiphol C
AlkaPlorer ID: AK128107
Synonym: '(-)-Orthosiphol C', 'Orthosiphol C'
IUPAC Name: 2-[(1S,2R,4R,4aR,6R,8R,8aS)-4-acetyloxy-8-benzoyloxy-1-(cyanomethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
Structure
SMILES: C=C[C@@]1(C)C[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]2[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)O)C[C@@H](OC(C)=O)[C@@]2(O)C1=O
InChI: InChI=1S/C29H35NO8/c1-7-27(5)16-19(38-23(32)18-11-9-8-10-12-18)22-28(6,13-14-30)20(26(3,4)25(34)35)15-21(37-17(2)31)29(22,36)24(27)33/h7-12,19-22,36H,1,13,15-16H2,2-6H3,(H,34,35)/t19-,20+,21-,22-,27+,28+,29+/m1/s1
InChIKey: MPPSSZWVJZPPHO-LGWYJBSXSA-N
Reference
Norstaminane- and isopimarane-type diterpenes of Orthosiphon stamineus from Okinawa
PubChem CID: 15548729
LOTUS: LTS0221495
SuperNatural Ⅲ: SN0231972-01
NPASS: NPC9634
Source
Properties Information
Molecule Weight: 525.5980000000004
TPSA？: 150.98999999999998
MolLogP？: 3.7067800000000015
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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