 Home > Encyclopedia > (1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol

(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol

(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol structure

CAS No:
76410-56-5
Formula:
C28H39NO3
Chemical Name:
(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol
Synonyms:
dihydroxyaflavinine;Dihydroxyaflavinine;(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol;76410-56-5;DTXSID00997805;1H-Benzo(d)naphthalene-1,5-diol, 2,3,4,4a,5,6,7,7a,10,11-decahydro-9-(2-hydroxy-1-methylethyl)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-, (1alpha,4alpha,4aalpha,5beta,7alpha,7abeta,9(R*),11aR*)-;9-(1-Hydroxypropan-2-yl)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-2,3,4,4a,5,6,7,7a,10,11-decahydro-1H-benzo[d]naphthalene-1,5-diol

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(1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol Basic Attributes

Molecular Weight：

437.6 g/mol

Exact Mass：

437.29299411 g/mol

Characteristics

PSA：

76.5 Å²

Drug Information

MeSH Entry Terms：

dihydroxyaflavinine

Computed Properties

Molecular Weight:437.6
XLogP3:4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:437.29299411
Monoisotopic Mass:437.29299411
Topological Polar Surface Area:76.5
Heavy Atom Count:32
Complexity:751
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1S,4R,4aS,5R,7R,7aS)-9-[(2S)-1-hydroxypropan-2-yl]-8-(1H-indol-3-yl)-4,4a,7-trimethyl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[d]naphthalene-1,5-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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