(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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![(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fab747133e2b4064888d3fb702c9f223.png "(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol")
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
structure -
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CAS No:
82510-56-3
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Formula:
C18H14O3
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Chemical Name:
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
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Synonyms:
82510-56-3;CCRIS 7365;(?)-syn-BPhDE;(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1;(-)-syn-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide;(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide (syn);(-)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-(syn);(+)-syn-Benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide;(-)-syn-Benzo(c)phenanthrene 3,4-dihydrodiol-1,2-epoxide;Benzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-, (1aR,2S,3R,11dS)-;(1aR-(1aalpha,2alpha,3beta,11dalpha))-1a,2,3,11d-tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol;(1AR-(1AALPHA,2ALPHA,3BETA,11DALPHA))-1A,2,3,11D-TETRAHYDROBENZO[5,6]PHENANTHRO[3,4-B]OXIRENE-2,3-DI OL
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CAS No:
(3S,5R,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol Basic Attributes
278.3 g/mol
278.094294304 g/mol
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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