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Secalonic acid D

Secalonic acid D structure

Secalonic acid D 

structure
  • CAS No:

    35287-69-5

  • Formula:

    C32H30O14

  • Chemical Name:

    Secalonic acid D

  • Synonyms:

    [7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid,2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-,4a,4′a-dimethyl ester,(3S,3′S,4R,4′R,4aR,4′aR)-;[7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid,2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-,dimethyl ester,[3S-[3α,4β,4aβ,7(3′R*,4′S*,4′aS*)]]-;[7,7′-Bi-4aH-xanthene]-4a,4′a-dicarboxylic acid,2,2′,3,3′,4,4′,9,9′-octahydro-1,1′,4,4′,8,8′-hexahydroxy-3,3′-dimethyl-9,9′-dioxo-,dimethyl ester,(3S,3′S,4R,4′R,4aR,4′aR)-;Secalonic acid D;NSC 159631;NSC 268922;Ergochrome EE;32721-91-8

Description

Secalonic acid D is a member of xanthenes.

Secalonic acid D Basic Attributes

638.57

638.57

HZP8L3M5ME

Characteristics

227 Ų

1.3167

257°C

591.32°C (rough estimate)

1.6130 (estimate)

Safety Information

UN 2811 6.1/PG 2

28

28-36/37-45

EC2460000

T+

Drug Information

secalonic acid

Computed Properties

Molecular Weight:638.6
XLogP3:3.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:5
Exact Mass:638.16355563
Monoisotopic Mass:638.16355563
Topological Polar Surface Area:227
Heavy Atom Count:46
Complexity:1300
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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