(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate
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![(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f72718621f24302be52192f229eb266.png "(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate")
(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate
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CAS No:
21899-50-3
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Formula:
C20H22O7
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Chemical Name:
(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate
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Synonyms:
2-Butenoic acid,3-methyl-,(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester;Germacra-1(10),11(13)-diene-12,14-dioic acid,4,5α-epoxy-2β,6α,8α-trihydroxy-,12,6:14,2-dilactone,3-methylcrotonate;Elephantin;2-Butenoic acid,3-methyl-,1a,2,3,7,8,8a,9,10,11a,11b-decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl ester,[1aR-(1aR*,3R*,8S*,8aR*,11aS*,11bR*)]-;Crotonic acid,3-methyl-,8-ester with 4,5α-epoxy-2β,6α,8α-trihydroxygermacra-1(10),11(13)-diene-12,14-dioic acid di-γ-lactone;5H-3,6-Methenofuro[2,3-f]oxireno[d]oxacycloundecin,2-butenoic acid deriv.;(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate;NSC 102817;10247-73-1
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CAS No:
Description
ChEBI: A germacrane sesquiterpenoid tumour inhibitor isolated from Elephantopus elatus.
Elephantin is a germacrane sesquiterpenoid tumour inhibitor isolated from Elephantopus elatus. It has a role as an antineoplastic agent.
(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate Basic Attributes
374.38448
374.38
Computed Properties
Molecular Weight:374.4
XLogP3:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:374.13655304
Monoisotopic Mass:374.13655304
Topological Polar Surface Area:91.4
Heavy Atom Count:27
Complexity:803
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1aR,3R,8S,8aR,11aS,11bR)-1a,2,3,7,8,8a,9,10,11a,11b-Decahydro-1a-methyl-9-methylene-5,10-dioxo-5H-3,6-methenofuro[2,3-f]oxireno[d]oxacycloundecin-8-yl 3-methyl-2-butenoate
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