3,6,20-Cevanetriol; (3β,5α,17β)-form, 6-Ketone

AlkaPlorer ID: AK292020

Synonym: Imperialine, Kashmirine, Sipeimine

IUPAC Name: 10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one

Structure

SMILES: CC1CCC2N(C1)CC1C3CC4C(CC(=O)C5CC(O)CCC54C)C3CCC1C2(C)O

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InChI: InChI=1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3

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InChIKey: IQDIERHFZVCNRZ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 429.64500000000027

TPSA: 60.77000000000001

MolLogP: 3.8863000000000034

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information