(Q82894071)

English

17-(6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-7,3'-diaziren]-3-ol

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

430.35592871200004 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₆N₂O₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCC(C)(C)O)C1CCC2C3C(CCC12C)C1(C)CCC(O)CC1CC31N=N1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1CC31N=N1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C27H46N2O2/c1-17(7-6-12-24(2,3)31)20-8-9-21-23-22(11-14-26(20,21)5)25(4)13-10-19(30)15-18(25)16-27(23)28-29-27/h17-23,30-31H,6-16H2,1-5H3/t17-,18?,19+,20-,21+,22+,23+,25+,26-/m1/s1

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InChIKey

BZEZIWPLZKOHDZ-GAUYASFCSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID701350174

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(Q82894071)

17-(6-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,5,6,8,9,10,11,12,13,14,15,16,17-hexadecahydrospiro[cyclopenta[a]phenanthrene-7,3'-diaziren]-3-ol

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Identifiers

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