(Q105306715)

English

(1R,3S,9S,10S,12S,13S,16S,17R,18S)-10,18-dihydroxy-16-[(1R)-1-hydroxy-1-[(2R,5S)-5-(hydroxymethyl)-6-oxooxan-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one

chemical compound

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instance of

type of chemical entity

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subclass of

10,18-Dihydroxy-16-[1-hydroxy-1-[5-(hydroxymethyl)-6-oxooxan-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one

1 reference

based on heuristic

inferred from SMILES

mass

532.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₈

0 references

canonical SMILES

O=C1OC(C)(C)C2C(O)CC3C4(C)CCC(C(O)(C)C5OC(=O)C(CO)CC5)C4(C)C(O)CC63CC26C=C1

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isomeric SMILES

CC1(C)OC(=O)C=C[C@]23C[C@]24C[C@H](O)[C@]2(C)[C@@H]([C@@](C)(O)[C@H]5CC[C@@H](CO)C(=O)O5)CC[C@@]2(C)[C@@H]4C[C@H](O)[C@@H]13

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found in taxon

Kadsura angustifolia

1 reference

stated in

Compounds from Kadsura angustifolia with anti-HIV activity

Identifiers

InChI

InChI=1S/C30H44O8/c1-25(2)23-17(32)12-19-26(3)10-8-18(28(5,36)21-7-6-16(14-31)24(35)37-21)27(26,4)20(33)13-30(19)15-29(23,30)11-9-22(34)38-25/h9,11,16-21,23,31-33,36H,6-8,10,12-15H2,1-5H3/t16-,17-,18-,19-,20-,21+,23-,26-,27-,28+,29+,30-/m0/s1

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InChIKey

WJEKRFMNFGRCAH-AWAROXEWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WJEKRFMNFGRCAH-AWAROXEWSA-N

(Q105306715)

(1R,3S,9S,10S,12S,13S,16S,17R,18S)-10,18-dihydroxy-16-[(1R)-1-hydroxy-1-[(2R,5S)-5-(hydroxymethyl)-6-oxooxan-2-yl]ethyl]-8,8,13,17-tetramethyl-7-oxapentacyclo[10.7.0.01,3.03,9.013,17]nonadec-4-en-6-one

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