12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-
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![12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ea769b52c22b45e8981509636b410fde.png "12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-")
12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-
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CAS No:
114531-28-1
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Formula:
C24H33NO4
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Chemical Name:
12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-
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Synonyms:
12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol,decahydro-8-methyl-2-methylene-,acetate (ester),(1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-;Isoatisine,7,20-epoxy-,acetate (ester),(7α,15α,19S,20R)-;12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol,decahydro-8-methyl-2-methylene-,acetate (ester),[1S-(1α,3α,4aβ,4bβ,8β,8aα,12aβ,14β,14aα,18S*)]-;Spiramine A;Spiramine C acetate (ester);(15α,19S)-23-Deoxy-19,23-epoxyajaconine acetate (ester)
- Categories:
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CAS No:
12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)- Basic Attributes
399.5 g/mol
399.52
DTXSID80331622
Computed Properties
Molecular Weight:399.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:399.24095853
Monoisotopic Mass:399.24095853
Topological Polar Surface Area:48
Heavy Atom Count:29
Complexity:813
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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12aH,14H-3,14a-Ethano-14,4b,8-ethanylylidene-1H,5H-[2]benzopyrano[4,3-g]oxazolo[3,2-a]azocin-1-ol, decahydro-8-methyl-2-methylene-, acetate (ester), (1S,3S,4aR,4bR,8R,8aS,12aS,14R,14aR,18R)-
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