 Home > Encyclopedia > (1S,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol

(1S,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol

(1S,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol structure

CAS No:
21445-21-6
Formula:
C15H20O4
Chemical Name:
(1S,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol
Synonyms:
Crotocol;(4|A,7|A,8|A,12xi)-7,8:12,13-diepoxytrichothec-9-en-4-ol;DTXSID70276694;21445-21-6;Trichothec-9-en-4-ol, 7,8:12,13-diepoxy-, (beta,7beta,8beta)-

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(1S,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol Basic Attributes

Molecular Weight：

264.32 g/mol

Exact Mass：

264.13615911 g/mol

Characteristics

PSA：

54.5 Å²

Computed Properties

Molecular Weight:264.32
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:264.13615911
Monoisotopic Mass:264.13615911
Topological Polar Surface Area:54.5
Heavy Atom Count:19
Complexity:516
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,2R,3S,5R,8R,10R,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxirane]-12-ol

Basic Attributes
Characteristics
Computed Properties

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