(Q104253097)

English

(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₄

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instance of

group of stereoisomers

0 references

1 reference

600.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

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canonical SMILES

OC1CC2(OC(C=C2C(C)(C)C1)C(=CC=CC(=CC=CC=C(C=CC=C(C)C3OC4(C(=C3)C(C)(C)CC(O)C4)C)C)C)C)C

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isomeric SMILES

CC(/C=C/C=C(\C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1

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found in taxon

Metasequoia glyptostroboides

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stated in

Ketocarotenoids—Autumn carotenoids in Metasequoia glyptostroboides

Camellia sasanqua

1 reference

stated in

Identification of the carotenoids of the leaves of Camellia sasanqua

Capsicum annuum

1 reference

stated in

Carotenoid Composition in the Fruits ofCapsicumannuumCv. Szentesi Kosszarvú during Ripening

Citrus cavaleriei

1 reference

stated in

Carotenoids of promising citrus hybrids

Eschscholzia californica

1 reference

stated in

A new retro-carotenoid from the petals of the Californian yellow poppy Eschscholtzia californica

Hibiscus syriacus

1 reference

stated in

Identification of carotenoid constituents in Hibiscus syriacus

Lobaria pulmonaria

1 reference

stated in

Carotenoids in lichens from the Canary Islands

Mangifera indica

1 reference

stated in

Effects of Ripening, Cultivar Differences, and Processing on the Carotenoid Composition of Mango

Sticta canariensis

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stated in

Carotenoids in lichens from the Canary Islands

Camellia oleifera

1 reference

stated in

Identification of the carotenoids of the leaves of Camellia sasanqua

Identifiers

InChI

InChI=1S/C40H56O4/c1-27(17-13-19-29(3)33-21-35-37(5,6)23-31(41)25-39(35,9)43-33)15-11-12-16-28(2)18-14-20-30(4)34-22-36-38(7,8)24-32(42)26-40(36,10)44-34/h11-22,31-34,41-42H,23-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+/t31-,32-,33?,34?,39+,40+/m0/s1

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InChIKey

YLUSVJDFTAATNS-RFIAJWJGSA-N

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CAS Registry Number

27785-15-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

26 December 2021

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000005

0 references

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

YLUSVJDFTAATNS-RFIAJWJGSA-N

(Q104253097)

(6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E)-15-[(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

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