Sarcovagine D
AlkaPlorer ID: AK018183
Synonym: ''
IUPAC Name: (E)-N-[(5R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-4-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]-2-methylbut-2-enamide
Structure
SMILES: C/C=C(\C)C(=O)NC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@H]32)C1=O
InChI: InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,23-,27+,28+/m0/s1
InChIKey: VWQAUBJBEMSAFZ-QJRNPGCNSA-N
Reference
Pregnane alkaloids from Pachysandra axillaris
PubChem CID: 101726070
LOTUS: LTS0120988
SuperNatural Ⅲ: SN0402108-07
NPASS: NPC9136
Source
Properties Information
Molecule Weight: 440.67200000000025
TPSA?: 49.41
MolLogP?: 5.350600000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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