(Q105188582)

English

(5aR,6R,7S,9aR)-6-[2-[(1aS,2aR,3R,5aR,7R,7aR)-3-hydroxy-3,6,6,7a-tetramethyl-2,2a,4,5,5a,7-hexahydro-1aH-azuleno[6,7-b]oxiren-7-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-6-[2-(3-hydroxy-3,6,6,7a-tetramethyl-2,2a,4,5,5a,7-hexahydro-1aH-azuleno[6,7-b]oxiren-7-yl)ethyl]-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

1 reference

based on heuristic

inferred from SMILES

mass

490.3658247 dalton

1 reference

1 reference

C₃₀H₅₀O₅

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canonical SMILES

O=C1CCC2(C)C(OC1(C)C)CCC(O)(C)C2CCC3C4(OC4CC5C(CCC5(O)C)C3(C)C)C

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isomeric SMILES

CC1(C)O[C@@H]2CC[C@](C)(O)[C@H](CC[C@@H]3C(C)(C)[C@@H]4CC[C@@](C)(O)[C@@H]4C[C@@H]4O[C@@]43C)[C@@]2(C)CCC1=O

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found in taxon

Callyspongia siphonella

1 reference

stated in

The sipholanes, a novel group of triterpenes from the marine sponge Siphonochalina siphonella

Identifiers

InChI

InChI=1S/C30H50O5/c1-25(2)18-11-15-28(6,32)19(18)17-24-30(8,35-24)20(25)9-10-21-27(5)14-12-22(31)26(3,4)34-23(27)13-16-29(21,7)33/h18-21,23-24,32-33H,9-17H2,1-8H3/t18-,19-,20-,21-,23-,24+,27-,28-,29+,30-/m1/s1

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InChIKey

OABNLEHFHJBVKU-JQHGTTQLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OABNLEHFHJBVKU-JQHGTTQLSA-N

1 reference

(Q105188582)

(5aR,6R,7S,9aR)-6-[2-[(1aS,2aR,3R,5aR,7R,7aR)-3-hydroxy-3,6,6,7a-tetramethyl-2,2a,4,5,5a,7-hexahydro-1aH-azuleno[6,7-b]oxiren-7-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one

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Identifiers

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