(1S,3S,4R,5S,7R,8S,9R,12R,13S,14R,15R,16S,17R)-3,4,7,8-tetrahydroxy-9,11-dimethyl-15-{[(2E)-2-methylbut-2-enoyl]oxy}-19-methylidene-11-azahexacyclo[12.3.2.0¹,¹³.0⁴,⁹.0⁵,¹².0⁵,¹⁷]nonadecan-16-yl (2E)-2-methylbut-2-enoate
AlkaPlorer ID: AK119402
Synonym: None
IUPAC Name: [(1S,3S,4R,5S,7R,8S,9R,12R,13S,14R,15R,16S,17R)-3,4,7,8-tetrahydroxy-9,11-dimethyl-16-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-15-yl] (E)-2-methylbut-2-enoate
Structure
SMILES: C=C1C[C@]23C[C@H](O)[C@@]4(O)[C@]56C[C@@H](O)[C@@H](O)[C@@]4(C)CN(C)[C@@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)/C(C)=C/C)[C@H]36
InChI: InChI=1S/C31H43NO8/c1-8-14(3)26(36)39-21-19-16(5)10-29-12-18(34)31(38)28(6)13-32(7)24(20(19)29)30(31,11-17(33)25(28)35)23(29)22(21)40-27(37)15(4)9-2/h8-9,17-25,33-35,38H,5,10-13H2,1-4,6-7H3/b14-8+,15-9+/t17-,18+,19+,20-,21-,22-,23-,24-,25-,28-,29+,30+,31+/m1/s1
InChIKey: LZRUVOHMFJDCOH-QDTQQGJBSA-N
Source
Properties Information
Molecule Weight: 557.6840000000002
TPSA？: 136.76000000000002
MolLogP？: 1.4923999999999995
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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