 Home > Encyclopedia > (3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol

(3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol

(3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol structure

CAS No:
74465-36-4
Formula:
C20H14O3
Chemical Name:
(3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol
Synonyms:
74465-36-4;B(e)P diol epoxide-1;(+-)-9-alpha,10-beta-Dihydroxy-11-alpha,12-alpha-epoxy-9,10,11,12-tetrahydrobenzo(e)pyrene;Benzo(e)pyrene, 9,10,11,12-tetrahydro-9-alpha,10-beta-dihydroxy-11-alpha,12-alpha-epoxy-, (+-)-;DTXSID80995980;1a,10,11,11c-Tetrahydrobenzo[10,11]chryseno[5,6-b]oxirene-10,11-diol

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(3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol Basic Attributes

Molecular Weight：

302.3 g/mol

Exact Mass：

302.094294304 g/mol

Characteristics

PSA：

53 Å²

Computed Properties

Molecular Weight:302.3
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:302.094294304
Monoisotopic Mass:302.094294304
Topological Polar Surface Area:53
Heavy Atom Count:23
Complexity:545
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,4S,17R,19S)-18-oxahexacyclo[10.7.2.02,7.09,20.016,21.017,19]henicosa-1(20),2(7),5,8,10,12(21),13,15-octaene-3,4-diol

Basic Attributes
Characteristics
Computed Properties

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