 Home > Encyclopedia > (3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol

(3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol

(3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol structure

CAS No:
80433-80-3
Formula:
C18H14O3
Chemical Name:
(3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Synonyms:
5-17-05-00479 (Beilstein Handbook Reference);BRN 4707047;(+)-Chrysene-1-alpha,2-beta-diol-3-alpha,4-alpha-epoxide 1;1-alpha,2-beta-CHRYSENEDIOL, 1,2,3,4-TETRAHYDRO-3-alpha,4-alpha-EPOXY-, (E)-(+)-;trans-(+)-3-alpha,4-alpha-Epoxy-1,2,3,4-tetrahydro-1-alpha,2-beta-chrysenediol;Chryseno(3,4-b)oxirene-1,2-diol, 1,2,2a,3a-tetrahydro-, (1S-(1-alpha,2-beta,2a-beta,3a-beta))-;80433-80-3

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(3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol Basic Attributes

Molecular Weight：

278.3 g/mol

Exact Mass：

278.094294304 g/mol

Characteristics

PSA：

53 Å²

Computed Properties

Molecular Weight:278.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:278.094294304
Monoisotopic Mass:278.094294304
Topological Polar Surface Area:53
Heavy Atom Count:21
Complexity:425
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,5S,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol

Basic Attributes
Characteristics
Computed Properties

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