(Q27266072)

UNII-72GV3I709L (English)

(2S,5R,10S)-7-Bromo-2,5,8,10-tetramethyl-2,3,4,5-tetrahydro-2,5-methano-1-benzoxepine

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₉BrO

1 reference

UNII-72GV3I709L (English)

14 October 2016

canonical SMILES

CC1C2(CCC1(OC3=CC(=C(C=C32)Br)C)C)C

1 reference

UNII-72GV3I709L (English)

14 October 2016

isomeric SMILES

C[C@@H]1[C@]2(CC[C@@]1(OC3=CC(=C(C=C32)Br)C)C)C

1 reference

Brominated sesquiterpene metabolites of Hypnea pannosa (Gigartinales, Rhodophyta)

UNII-72GV3I709L (English)

14 October 2016

1 reference

Laurencia dendroidea

3 references

Sesquiterpenes from Laurencia spp.

Heterocladol, a halogenated selinane sesquiterpene of biosynthetic significance from the red alga Laurencia filiformis: Its isolation, crystal structure andabsolute configuration

New laurene derivatives from Laurencia filiformis

Laurencia filiformis

3 references

Sesquiterpenes from Laurencia spp.

Heterocladol, a halogenated selinane sesquiterpene of biosynthetic significance from the red alga Laurencia filiformis: Its isolation, crystal structure andabsolute configuration

New laurene derivatives from Laurencia filiformis

Laurencia caduciramulosa

1 reference

Sesquiterpenes from the introduced red seaweed Laurencia caduciramulosa (Rhodomelaceae, Ceramiales)

Identifiers

InChI

InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)5-6-15(4,17-13)10(14)2/h7-8,10H,5-6H2,1-4H3/t10-,14-,15+/m1/s1

1 reference

UNII-72GV3I709L (English)

KUYRIOUUTKXVSM-KMUNFCNLSA-N

14 October 2016

InChIKey

2 references

UNII-72GV3I709L (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

62311-75-5

1 reference

Global Substance Registration System

UNII

72GV3I709L

filiformin (English)

14 October 2016

1 reference

filiformin (English)

14 October 2016

2 references

UNII-72GV3I709L (English)

matched by identifier from

14 October 2016

InChIKey

KUYRIOUUTKXVSM-KMUNFCNLSA-N

ChEBI ID

134183

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)5-6-15(4,17-13)10(14)2/h7-8,10H,5-6H2,1-4H3/t10-,14-,15+/m1/s1

1 reference

0 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

72GV3I709L

filiformin (English)