(Q104399515)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

484.318874508 dalton

1 reference

1 reference

C₃₀H₄₄O₅

0 references

canonical SMILES

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

0 references

isomeric SMILES

CC1=C(CC[C@H]2[C@@H](C)CC[C@H]3OC(C)(C)C(=O)CC[C@]23C)[C@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O

0 references

found in taxon

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

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/C30H44O5/c1-17-9-12-23-29(7,15-14-22(32)28(5,6)35-23)19(17)10-11-20-18(2)24(33)25(34)26-27(3,4)21(31)13-16-30(20,26)8/h17,19,23,34H,9-16H2,1-8H3/t17-,19-,23+,29+,30-/m0/s1

0 references

InChIKey

VTXYSDPCTJDOCW-BKLVDNNTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VTXYSDPCTJDOCW-BKLVDNNTSA-N

1 reference

(Q104399515)

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

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