 Home > Encyclopedia > (2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol

(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol

(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol structure

CAS No:
52-73-3
Formula:
C21H32O2
Chemical Name:
(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol
Synonyms:
UNII-521UMF9BM9;521UMF9BM9;52-73-3;(2beta,5alpha,17beta)-2-ethynyl-17-methyl-a-norandrostane-2,17-diol;2-alpha-Ethynyl-17-alpha-methyl-A-norandrostane-2-beta,17-beta-diol;A-NORANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-17-alpha-METHYL-;NIOSH/RB5876650;DTXSID10966325;Dicyclopenta(a,f)naphthalene, A-norandrostane-2,17-diol deriv;2-Ethynyl-17-methyl-a-norandrostane-2,17-diol, (2beta,5alpha,17beta)-;RB58766500;Q27260946;2-Ethynyl-17-methyl-A-norandrostane-2-beta,17-beta-diol;A-Norandrostane-2-beta,17-beta-diol, 2-ethynyl-17-methyl-;7-Ethynyl-1,8a,10a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol

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(2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol Basic Attributes

Molecular Weight：

316.5 g/mol

Exact Mass：

316.240230259 g/mol

UNII：

521UMF9BM9

Characteristics

PSA：

40.5 Å²

Computed Properties

Molecular Weight:316.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:316.240230259
Monoisotopic Mass:316.240230259
Topological Polar Surface Area:40.5
Heavy Atom Count:23
Complexity:576
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3aS,3bS,5aS,6S,8aS,8bR,10aS)-2-ethynyl-3a,5a,6-trimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]indene-2,6-diol

Basic Attributes
Characteristics
Computed Properties

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