(Q105361736)

English

(1R,2R,4R,5R,6S,7S,9R,10R,11S,13S,14R,15R,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10,11-Dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-one

1 reference

based on heuristic

inferred from SMILES

mass

532.303618368 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,4R,5R,6S,7S,9R,10S,11S,13S,14R,15R,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-one

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₄O₈

0 references

canonical SMILES

O=C1C(C)C2C(C)CCCCCCCC34OC5C6C7OC7(CO)C(O)C1(O)C2C6(O3)C(C)CC5(O4)C(=C)C

0 references

isomeric SMILES

C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2

0 references

found in taxon

Wikstroemia retusa

1 reference

stated in

Minor daphnane-type diterpenoids from Wikstroemia retusa

Identifiers

InChI

InChI=1S/C30H44O8/c1-15(2)26-13-17(4)30-20-23(26)36-28(37-26,38-30)12-10-8-6-7-9-11-16(3)19-18(5)22(32)29(34,21(19)30)25(33)27(14-31)24(20)35-27/h16-21,23-25,31,33-34H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21-,23-,24+,25+,26-,27+,28-,29-,30-/m1/s1

0 references

InChIKey

YTMZOVBDBJZQRD-KQBOULRMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YTMZOVBDBJZQRD-KQBOULRMSA-N

(Q105361736)

(1R,2R,4R,5R,6S,7S,9R,10R,11S,13S,14R,15R,23S,25R)-10,11-dihydroxy-9-(hydroxymethyl)-2,13,15-trimethyl-4-prop-1-en-2-yl-8,24,26,27-tetraoxaheptacyclo[12.10.1.14,23.15,23.01,6.07,9.011,25]heptacosan-12-one

Statements

Identifiers

Sitelinks

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