(Q104399514)

English

(4aS)-5-[2-[(5aR,6R,7R,9aR)-7-hydroxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

8-hydroxy-5-[2-(7-hydroxy-2,2,5a,7-tetramethyl-3-oxo-hexahydro-1-benzoxepin-6-yl)ethyl]-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

1 reference

based on heuristic

inferred from SMILES

mass

500.313789128 dalton

1 reference

1 reference

C₃₀H₄₄O₆

0 references

canonical SMILES

O=C1C(O)=C2C(C(=O)CCC2(C(=C1C)CCC3C(O)(C)CCC4OC(C(=O)CCC43C)(C)C)C)(C)C

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isomeric SMILES

CC1=C(CC[C@H]2[C@](C)(O)CC[C@H]3OC(C)(C)C(=O)CC[C@@]32C)[C@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O

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found in taxon

Phakellia radiata

1 reference

stated in

Sodwanone and Yardenone Triterpenes from a South African Species of the Marine Sponge Axinella Inhibit Hypoxia-Inducible Factor-1 (HIF-1) Activation in Both Breast and Prostate Tumor Cells

Axinella

2 references

stated in

Sodwanone and Yardenone Triterpenes from a South African Species of the Marine Sponge Axinella Inhibit Hypoxia-Inducible Factor-1 (HIF-1) Activation in Both Breast and Prostate Tumor Cells

stated in

Sodwanone and yardenone triterpenes from a South African species of the marine sponge Axinella inhibit hypoxia-inducible factor-1 (HIF-1) activation in both breast and prostate tumor cells

Axinella bidderi

1 reference

stated in

Yardenone A and B: new cytotoxic triterpenes from the Indian Ocean sponge Axinella cf. bidderi

Ptilocaulis spiculifer

2 references

stated in

Several new isoprenoids from two marine sponges of the family Axinellidae

stated in

Yardenone and abudinol two new triterpenes from the marine sponge Ptilocaulis spiculifer

Axinella weltneri

3 references

stated in

Sodwanones K, L, and M; new triterpenes from the marine sponge Axinella weltneri

stated in

Sodwanones A-C, three new triterpenoids from a marine sponge

stated in

Sodwanones A-F, New Triterpenoids from the Marine Sponge Axinella weltneri

Identifiers

InChI

InChI=1S/C30H44O6/c1-17-18(28(6)14-11-20(31)26(2,3)25(28)24(34)23(17)33)9-10-19-29(7)15-12-21(32)27(4,5)36-22(29)13-16-30(19,8)35/h19,22,34-35H,9-16H2,1-8H3/t19-,22-,28+,29-,30-/m1/s1

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InChIKey

JSDOSRZMMGXYIQ-USJNMRNYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JSDOSRZMMGXYIQ-USJNMRNYSA-N

1 reference

(Q104399514)

(4aS)-5-[2-[(5aR,6R,7R,9aR)-7-hydroxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-8-hydroxy-1,1,4a,6-tetramethyl-3,4-dihydronaphthalene-2,7-dione

Statements

Identifiers

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